(2R)-2-amino-N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-3-phenyl-N-(2-pyridin-2-ylethyl)propanamide;N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-N-(2-pyridin-2-ylethyl)hexanamide;N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-N-(2-pyridin-2-ylethyl)pentanamide

C86H99N7O9 — CID 159805711

IUPAC(2R)-2-amino-N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-3-phenyl-N-(2-pyridin-2-ylethyl)propanamide;N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-N-(2-pyridin-2-ylethyl)hexanamide;N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-N-(2-pyridin-2-ylethyl)pentanamide
SMILESCCCCC(=O)N(CCc1ccccn1)Cc1ccc(OCc2ccccc2)c(OC)c1.CCCCCC(=O)N(CCc1ccccn1)Cc1ccc(OCc2ccccc2)c(OC)c1.COc1cc(CN(CCc2ccccn2)C(=O)[C@H](N)Cc2ccccc2)ccc1OCc1ccccc1
InChIInChI=1S/C31H33N3O3.C28H34N2O3.C27H32N2O3/c1-36-30-21-26(15-16-29(30)37-23-25-12-6-3-7-13-25)22-34(19-17-27-14-8-9-18-33-27)31(35)28(32)20-24-10-4-2-5-11-24;1-3-4-6-14-28(31)30(19-17-25-13-9-10-18-29-25)21-24-15-16-26(27(20-24)32-2)33-22-23-11-7-5-8-12-23;1-3-4-13-27(30)29(18-16-24-12-8-9-17-28-24)20-23-14-15-25(26(19-23)31-2)32-21-22-10-6-5-7-11-22/h2-16,18,21,28H,17,19-20,22-23,32H2,1H3;5,7-13,15-16,18,20H,3-4,6,14,17,19,21-22H2,1-2H3;5-12,14-15,17,19H,3-4,13,16,18,20-21H2,1-2H3/t28-;;/m1../s1
InChIKeyNKJBHRSRXMOJJX-QDSLRZTOSA-N
MW1374.78 g/mol
LogP16.06
Rot. Bonds37

About (2R)-2-amino-N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-3-phenyl-N-(2-pyridin-2-ylethyl)propanamide;N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-N-(2-pyridin-2-ylethyl)hexanamide;N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-N-(2-pyridin-2-ylethyl)pentanamide

(2R)-2-amino-N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-3-phenyl-N-(2-pyridin-2-ylethyl)propanamide;N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-N-(2-pyridin-2-ylethyl)hexanamide;N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-N-(2-pyridin-2-ylethyl)pentanamide (PubChem CID 159805711) has the molecular formula C86H99N7O9 and a molecular weight of 1374.78 g/mol. Its IUPAC name is (2R)-2-amino-N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-3-phenyl-N-(2-pyridin-2-ylethyl)propanamide;N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-N-(2-pyridin-2-ylethyl)hexanamide;N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-N-(2-pyridin-2-ylethyl)pentanamide.

Molecular Properties

Compound Name(2R)-2-amino-N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-3-phenyl-N-(2-pyridin-2-ylethyl)propanamide;N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-N-(2-pyridin-2-ylethyl)hexanamide;N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-N-(2-pyridin-2-ylethyl)pentanamide
PubChem CID159805711
Molecular FormulaC86H99N7O9
Molecular Weight1374.78 g/mol
Exact Mass1373.75
IUPAC Name(2R)-2-amino-N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-3-phenyl-N-(2-pyridin-2-ylethyl)propanamide;N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-N-(2-pyridin-2-ylethyl)hexanamide;N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-N-(2-pyridin-2-ylethyl)pentanamide
SMILESCCCCC(=O)N(CCc1ccccn1)Cc1ccc(OCc2ccccc2)c(OC)c1.CCCCCC(=O)N(CCc1ccccn1)Cc1ccc(OCc2ccccc2)c(OC)c1.COc1cc(CN(CCc2ccccn2)C(=O)[C@H](N)Cc2ccccc2)ccc1OCc1ccccc1
InChIInChI=1S/C31H33N3O3.C28H34N2O3.C27H32N2O3/c1-36-30-21-26(15-16-29(30)37-23-25-12-6-3-7-13-25)22-34(19-17-27-14-8-9-18-33-27)31(35)28(32)20-24-10-4-2-5-11-24;1-3-4-6-14-28(31)30(19-17-25-13-9-10-18-29-25)21-24-15-16-26(27(20-24)32-2)33-22-23-11-7-5-8-12-23;1-3-4-13-27(30)29(18-16-24-12-8-9-17-28-24)20-23-14-15-25(26(19-23)31-2)32-21-22-10-6-5-7-11-22/h2-16,18,21,28H,17,19-20,22-23,32H2,1H3;5,7-13,15-16,18,20H,3-4,6,14,17,19,21-22H2,1-2H3;5-12,14-15,17,19H,3-4,13,16,18,20-21H2,1-2H3/t28-;;/m1../s1
InChIKeyNKJBHRSRXMOJJX-QDSLRZTOSA-N
XLogP16.06
TPSA181.00 Ų
H-Bond Donors1
H-Bond Acceptors13
Rotatable Bonds37
Heavy Atoms102
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001374.78
LogP ≤ 516.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1013

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze (2R)-2-amino-N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-3-phenyl-N-(2-pyridin-2-ylethyl)propanamide;N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-N-(2-pyridin-2-ylethyl)hexanamide;N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-N-(2-pyridin-2-ylethyl)pentanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(4-methoxy-3-phenylmethoxyphenyl)methyl]-N-(2-pyridin-2-ylethyl)benzamide
CID 42701819
N,N-bis[(3-methoxy-4-phenylmethoxyphenyl)methyl]-2-pyridin-2-ylethanamine;3-chloro-N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-N-(2-pyridin-2-ylethyl)benzamide;N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-3-phenyl-N-(2-pyridin-2-ylethyl)propanamide
CID 159141021
N-butyl-2-ethyl-N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]hexanamide
CID 42705071
N-[(4-methoxy-3-phenylmethoxyphenyl)methyl]-N-(2-morpholin-4-ylethyl)hexanamide
CID 42701783
N-[(4-methoxy-3-phenylmethoxyphenyl)methyl]-N-(2-pyrrolidin-1-ylethyl)tetradecanamide
CID 42701804
N-[(4-methoxy-3-phenylmethoxyphenyl)methyl]-N-(2-morpholin-4-ylethyl)pentanamide
CID 42701779
3-(3-chlorophenyl)-1-[(4-methoxy-3-phenylmethoxyphenyl)methyl]-1-(2-pyridin-2-ylethyl)urea
CID 42702097
N-[(3,4-dimethoxyphenyl)methyl]-4-phenyl-N-(2-pyridin-2-ylethyl)butanamide;N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-N-(2-piperidin-2-ylethyl)benzenesulfonamide;N-[(4-methylphenyl)methyl]-4-phenyl-N-(2-pyridin-2-ylethyl)butanamide
CID 160815166
(2R)-2-amino-N,N-dipentyl-3-(4-phenylmethoxyphenyl)propanamide;hydrochloride
CID 67871370
1,3-dibutyl-1-[(3-methoxy-4-phenylmethoxyphenyl)methyl]urea
CID 42705085
2-amino-N-ethyl-3-phenyl-N-(pyridin-2-ylmethyl)propanamide;dihydrochloride
CID 119885181
(2S)-2-amino-N-(2-methoxyethyl)-N-(pyridin-2-ylmethyl)hexanamide
CID 103950562

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-3-phenyl-N-(2-pyridin-2-ylethyl)propanamide;N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-N-(2-pyridin-2-ylethyl)hexanamide;N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-N-(2-pyridin-2-ylethyl)pentanamide?
The IUPAC name of (2R)-2-amino-N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-3-phenyl-N-(2-pyridin-2-ylethyl)propanamide;N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-N-(2-pyridin-2-ylethyl)hexanamide;N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-N-(2-pyridin-2-ylethyl)pentanamide (CID 159805711) is (2R)-2-amino-N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-3-phenyl-N-(2-pyridin-2-ylethyl)propanamide;N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-N-(2-pyridin-2-ylethyl)hexanamide;N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-N-(2-pyridin-2-ylethyl)pentanamide.
What is the SMILES notation for (2R)-2-amino-N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-3-phenyl-N-(2-pyridin-2-ylethyl)propanamide;N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-N-(2-pyridin-2-ylethyl)hexanamide;N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-N-(2-pyridin-2-ylethyl)pentanamide?
The canonical SMILES for (2R)-2-amino-N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-3-phenyl-N-(2-pyridin-2-ylethyl)propanamide;N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-N-(2-pyridin-2-ylethyl)hexanamide;N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-N-(2-pyridin-2-ylethyl)pentanamide is CCCCC(=O)N(CCc1ccccn1)Cc1ccc(OCc2ccccc2)c(OC)c1.CCCCCC(=O)N(CCc1ccccn1)Cc1ccc(OCc2ccccc2)c(OC)c1.COc1cc(CN(CCc2ccccn2)C(=O)[C@H](N)Cc2ccccc2)ccc1OCc1ccccc1.
What is the InChIKey of (2R)-2-amino-N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-3-phenyl-N-(2-pyridin-2-ylethyl)propanamide;N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-N-(2-pyridin-2-ylethyl)hexanamide;N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-N-(2-pyridin-2-ylethyl)pentanamide?
The InChIKey is NKJBHRSRXMOJJX-QDSLRZTOSA-N. The full InChI is InChI=1S/C31H33N3O3.C28H34N2O3.C27H32N2O3/c1-36-30-21-26(15-16-29(30)37-23-25-12-6-3-7-13-25)22-34(19-17-27-14-8-9-18-33-27)31(35)28(32)20-24-10-4-2-5-11-24;1-3-4-6-14-28(31)30(19-17-25-13-9-10-18-29-25)21-24-15-16-26(27(20-24)32-2)33-22-23-11-7-5-8-12-23;1-3-4-13-27(30)29(18-16-24-12-8-9-17-28-24)20-23-14-15-25(26(19-23)31-2)32-21-22-10-6-5-7-11-22/h2-16,18,21,28H,17,19-20,22-23,32H2,1H3;5,7-13,15-16,18,20H,3-4,6,14,17,19,21-22H2,1-2H3;5-12,14-15,17,19H,3-4,13,16,18,20-21H2,1-2H3/t28-;;/m1../s1.
What are the key properties of (2R)-2-amino-N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-3-phenyl-N-(2-pyridin-2-ylethyl)propanamide;N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-N-(2-pyridin-2-ylethyl)hexanamide;N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-N-(2-pyridin-2-ylethyl)pentanamide?
(2R)-2-amino-N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-3-phenyl-N-(2-pyridin-2-ylethyl)propanamide;N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-N-(2-pyridin-2-ylethyl)hexanamide;N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-N-(2-pyridin-2-ylethyl)pentanamide has a molecular weight of 1374.78 g/mol, XLogP of 16.06, 37 rotatable bonds, 1 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-3-phenyl-N-(2-pyridin-2-ylethyl)propanamide;N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-N-(2-pyridin-2-ylethyl)hexanamide;N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-N-(2-pyridin-2-ylethyl)pentanamide is sourced from PubChem (CID 159805711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).