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

C97H97ClN6O10 — CID 159141021

IUPACN,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
SMILESCOc1cc(CN(CCc2ccccn2)C(=O)CCc2ccccc2)ccc1OCc1ccccc1.COc1cc(CN(CCc2ccccn2)C(=O)c2cccc(Cl)c2)ccc1OCc1ccccc1.COc1cc(CN(CCc2ccccn2)Cc2ccc(OCc3ccccc3)c(OC)c2)ccc1OCc1ccccc1
InChIInChI=1S/C37H38N2O4.C31H32N2O3.C29H27ClN2O3/c1-40-36-23-31(16-18-34(36)42-27-29-11-5-3-6-12-29)25-39(22-20-33-15-9-10-21-38-33)26-32-17-19-35(37(24-32)41-2)43-28-30-13-7-4-8-14-30;1-35-30-22-27(15-17-29(30)36-24-26-12-6-3-7-13-26)23-33(21-19-28-14-8-9-20-32-28)31(34)18-16-25-10-4-2-5-11-25;1-34-28-18-23(13-14-27(28)35-21-22-8-3-2-4-9-22)20-32(17-15-26-12-5-6-16-31-26)29(33)24-10-7-11-25(30)19-24/h3-19,21,23-24H,20,22,25-28H2,1-2H3;2-15,17,20,22H,16,18-19,21,23-24H2,1H3;2-14,16,18-19H,15,17,20-21H2,1H3
InChIKeyKICBBHZUPLNENM-UHFFFAOYSA-N
MW1542.33 g/mol
LogP19.58
Rot. Bonds37

About 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

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 (PubChem CID 159141021) has the molecular formula C97H97ClN6O10 and a molecular weight of 1542.33 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound NameN,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
PubChem CID159141021
Molecular FormulaC97H97ClN6O10
Molecular Weight1542.33 g/mol
Exact Mass1540.70
IUPAC NameN,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
SMILESCOc1cc(CN(CCc2ccccn2)C(=O)CCc2ccccc2)ccc1OCc1ccccc1.COc1cc(CN(CCc2ccccn2)C(=O)c2cccc(Cl)c2)ccc1OCc1ccccc1.COc1cc(CN(CCc2ccccn2)Cc2ccc(OCc3ccccc3)c(OC)c2)ccc1OCc1ccccc1
InChIInChI=1S/C37H38N2O4.C31H32N2O3.C29H27ClN2O3/c1-40-36-23-31(16-18-34(36)42-27-29-11-5-3-6-12-29)25-39(22-20-33-15-9-10-21-38-33)26-32-17-19-35(37(24-32)41-2)43-28-30-13-7-4-8-14-30;1-35-30-22-27(15-17-29(30)36-24-26-12-6-3-7-13-26)23-33(21-19-28-14-8-9-20-32-28)31(34)18-16-25-10-4-2-5-11-25;1-34-28-18-23(13-14-27(28)35-21-22-8-3-2-4-9-22)20-32(17-15-26-12-5-6-16-31-26)29(33)24-10-7-11-25(30)19-24/h3-19,21,23-24H,20,22,25-28H2,1-2H3;2-15,17,20,22H,16,18-19,21,23-24H2,1H3;2-14,16,18-19H,15,17,20-21H2,1H3
InChIKeyKICBBHZUPLNENM-UHFFFAOYSA-N
XLogP19.58
TPSA156.37 Ų
H-Bond Donors
H-Bond Acceptors14
Rotatable Bonds37
Heavy Atoms114
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001542.33
LogP ≤ 519.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1014

Analyze 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 with MolForge

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Related Compounds

N-[(4-methoxy-3-phenylmethoxyphenyl)methyl]-N-(2-pyridin-2-ylethyl)benzamide
CID 42701819
3-(3-chlorophenyl)-1-[(4-methoxy-3-phenylmethoxyphenyl)methyl]-1-(2-pyridin-2-ylethyl)urea
CID 42702097
N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-4-methyl-N-(2-pyridin-2-ylethyl)benzamide;N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-2-nitro-N-(2-pyridin-2-ylethyl)benzamide;N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-3-nitro-N-(2-pyridin-2-ylethyl)benzamide
CID 161396856
(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
4-[(4-chlorophenyl)methoxy]-3-methoxy-N-methyl-N-(pyridin-2-ylmethyl)benzamide
CID 55958016
N-benzyl-N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-2-phenylethanamine
CID 2845777
ethyl 3-[benzyl-[(3-methoxy-4-phenylmethoxyphenyl)methyl]amino]propanoate
CID 3541865
N-[(3,4-dimethoxyphenyl)methyl]-N-ethyl-3-phenylpropanamide
CID 78808087
N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-N-[(3-nitrophenyl)methyl]-3-phenylpropan-1-amine
CID 23794044
3,4-dichloro-N-[(2-methoxyphenyl)methyl]-N-(2-pyridin-2-ylethyl)benzamide
CID 42695992
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
N-[(4-methoxy-3-phenylmethoxyphenyl)methyl]-N-(2-pyridin-2-ylethyl)benzenesulfonamide
CID 42701827

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is COc1cc(CN(CCc2ccccn2)C(=O)CCc2ccccc2)ccc1OCc1ccccc1.COc1cc(CN(CCc2ccccn2)C(=O)c2cccc(Cl)c2)ccc1OCc1ccccc1.COc1cc(CN(CCc2ccccn2)Cc2ccc(OCc3ccccc3)c(OC)c2)ccc1OCc1ccccc1.
What is the InChIKey of 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?
The InChIKey is KICBBHZUPLNENM-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H38N2O4.C31H32N2O3.C29H27ClN2O3/c1-40-36-23-31(16-18-34(36)42-27-29-11-5-3-6-12-29)25-39(22-20-33-15-9-10-21-38-33)26-32-17-19-35(37(24-32)41-2)43-28-30-13-7-4-8-14-30;1-35-30-22-27(15-17-29(30)36-24-26-12-6-3-7-13-26)23-33(21-19-28-14-8-9-20-32-28)31(34)18-16-25-10-4-2-5-11-25;1-34-28-18-23(13-14-27(28)35-21-22-8-3-2-4-9-22)20-32(17-15-26-12-5-6-16-31-26)29(33)24-10-7-11-25(30)19-24/h3-19,21,23-24H,20,22,25-28H2,1-2H3;2-15,17,20,22H,16,18-19,21,23-24H2,1H3;2-14,16,18-19H,15,17,20-21H2,1H3.
What are the key properties of 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?
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 has a molecular weight of 1542.33 g/mol, XLogP of 19.58, 37 rotatable bonds, 0 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 159141021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).