N-[(4-methoxy-3-phenylmethoxyphenyl)methyl]-N-(2-morpholin-4-ylethyl)hexanamide

C27H38N2O4 — CID 42701783

IUPACN-[(4-methoxy-3-phenylmethoxyphenyl)methyl]-N-(2-morpholin-4-ylethyl)hexanamide
SMILESCCCCCC(=O)N(CCN1CCOCC1)Cc1ccc(OC)c(OCc2ccccc2)c1
InChIInChI=1S/C27H38N2O4/c1-3-4-6-11-27(30)29(15-14-28-16-18-32-19-17-28)21-24-12-13-25(31-2)26(20-24)33-22-23-9-7-5-8-10-23/h5,7-10,12-13,20H,3-4,6,11,14-19,21-22H2,1-2H3
InChIKeyHORYHGCADAQNPH-UHFFFAOYSA-N
MW454.61 g/mol
LogP4.52
Rot. Bonds13

About N-[(4-methoxy-3-phenylmethoxyphenyl)methyl]-N-(2-morpholin-4-ylethyl)hexanamide

N-[(4-methoxy-3-phenylmethoxyphenyl)methyl]-N-(2-morpholin-4-ylethyl)hexanamide (PubChem CID 42701783) has the molecular formula C27H38N2O4 and a molecular weight of 454.61 g/mol. Its IUPAC name is N-[(4-methoxy-3-phenylmethoxyphenyl)methyl]-N-(2-morpholin-4-ylethyl)hexanamide.

Molecular Properties

Compound NameN-[(4-methoxy-3-phenylmethoxyphenyl)methyl]-N-(2-morpholin-4-ylethyl)hexanamide
PubChem CID42701783
Molecular FormulaC27H38N2O4
Molecular Weight454.61 g/mol
Exact Mass454.28
IUPAC NameN-[(4-methoxy-3-phenylmethoxyphenyl)methyl]-N-(2-morpholin-4-ylethyl)hexanamide
SMILESCCCCCC(=O)N(CCN1CCOCC1)Cc1ccc(OC)c(OCc2ccccc2)c1
InChIInChI=1S/C27H38N2O4/c1-3-4-6-11-27(30)29(15-14-28-16-18-32-19-17-28)21-24-12-13-25(31-2)26(20-24)33-22-23-9-7-5-8-10-23/h5,7-10,12-13,20H,3-4,6,11,14-19,21-22H2,1-2H3
InChIKeyHORYHGCADAQNPH-UHFFFAOYSA-N
XLogP4.52
TPSA51.24 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds13
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.61
LogP ≤ 54.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[(4-methoxy-3-phenylmethoxyphenyl)methyl]-N-(2-morpholin-4-ylethyl)pentanamide
CID 42701779
N-[(4-methoxy-3-phenylmethoxyphenyl)methyl]-N-(2-pyrrolidin-1-ylethyl)tetradecanamide
CID 42701804
N-[(4-methoxy-3-phenylmethoxyphenyl)methyl]-2-methyl-N-(2-morpholin-4-ylethyl)benzamide
CID 42701785
N-(2-morpholin-4-ylethyl)-N-[(3-phenoxyphenyl)methyl]pentanamide
CID 42697864
3-(2,6-dimethylphenyl)-1-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-1-(3-morpholin-4-ylpropyl)urea
CID 42708434
N-(1-benzylpiperidin-4-yl)-N-[(4-methoxy-3-phenylmethoxyphenyl)methyl]decanamide
CID 4235665
phenyl N-[(3,4-dimethoxyphenyl)methyl]-N-(2-morpholin-4-ylethyl)carbamate
CID 3784523
N-(1-benzylpiperidin-4-yl)-N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]decanamide
CID 142128614
ethyl 4-[[(3-methoxy-4-phenylmethoxyphenyl)methyl-(3-morpholin-4-ylpropyl)carbamoyl]amino]benzoate
CID 42708428
3-(4-ethoxyphenyl)-1-[(4-methoxy-3-phenylmethoxyphenyl)methyl]-1-(2-pyrrolidin-1-ylethyl)urea
CID 3346808
2,4-dichloro-N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-N-(3-morpholin-4-ylpropyl)benzamide
CID 42704417
4-[3-(3-ethoxy-4-phenylmethoxyphenyl)propyl]morpholine
CID 170869843

Frequently Asked Questions

What is the IUPAC name of N-[(4-methoxy-3-phenylmethoxyphenyl)methyl]-N-(2-morpholin-4-ylethyl)hexanamide?
The IUPAC name of N-[(4-methoxy-3-phenylmethoxyphenyl)methyl]-N-(2-morpholin-4-ylethyl)hexanamide (CID 42701783) is N-[(4-methoxy-3-phenylmethoxyphenyl)methyl]-N-(2-morpholin-4-ylethyl)hexanamide.
What is the SMILES notation for N-[(4-methoxy-3-phenylmethoxyphenyl)methyl]-N-(2-morpholin-4-ylethyl)hexanamide?
The canonical SMILES for N-[(4-methoxy-3-phenylmethoxyphenyl)methyl]-N-(2-morpholin-4-ylethyl)hexanamide is CCCCCC(=O)N(CCN1CCOCC1)Cc1ccc(OC)c(OCc2ccccc2)c1.
What is the InChIKey of N-[(4-methoxy-3-phenylmethoxyphenyl)methyl]-N-(2-morpholin-4-ylethyl)hexanamide?
The InChIKey is HORYHGCADAQNPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H38N2O4/c1-3-4-6-11-27(30)29(15-14-28-16-18-32-19-17-28)21-24-12-13-25(31-2)26(20-24)33-22-23-9-7-5-8-10-23/h5,7-10,12-13,20H,3-4,6,11,14-19,21-22H2,1-2H3.
What are the key properties of N-[(4-methoxy-3-phenylmethoxyphenyl)methyl]-N-(2-morpholin-4-ylethyl)hexanamide?
N-[(4-methoxy-3-phenylmethoxyphenyl)methyl]-N-(2-morpholin-4-ylethyl)hexanamide has a molecular weight of 454.61 g/mol, XLogP of 4.52, 13 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methoxy-3-phenylmethoxyphenyl)methyl]-N-(2-morpholin-4-ylethyl)hexanamide is sourced from PubChem (CID 42701783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).