N-[(3,4-dichlorophenyl)methyl]-N-[(4-methoxyphenyl)methyl]-3-[[(1R)-1-naphthalen-1-ylethyl]amino]propanamide

C30H30Cl2N2O2 — CID 59516668

IUPACN-[(3,4-dichlorophenyl)methyl]-N-[(4-methoxyphenyl)methyl]-3-[[(1R)-1-naphthalen-1-ylethyl]amino]propanamide
SMILESCOc1ccc(CN(Cc2ccc(Cl)c(Cl)c2)C(=O)CCN[C@H](C)c2cccc3ccccc23)cc1
InChIInChI=1S/C30H30Cl2N2O2/c1-21(26-9-5-7-24-6-3-4-8-27(24)26)33-17-16-30(35)34(19-22-10-13-25(36-2)14-11-22)20-23-12-15-28(31)29(32)18-23/h3-15,18,21,33H,16-17,19-20H2,1-2H3/t21-/m1/s1
InChIKeyUMOCEYHPPOJHIQ-OAQYLSRUSA-N
MW521.49 g/mol
LogP7.42
Rot. Bonds10

About N-[(3,4-dichlorophenyl)methyl]-N-[(4-methoxyphenyl)methyl]-3-[[(1R)-1-naphthalen-1-ylethyl]amino]propanamide

N-[(3,4-dichlorophenyl)methyl]-N-[(4-methoxyphenyl)methyl]-3-[[(1R)-1-naphthalen-1-ylethyl]amino]propanamide (PubChem CID 59516668) has the molecular formula C30H30Cl2N2O2 and a molecular weight of 521.49 g/mol. Its IUPAC name is N-[(3,4-dichlorophenyl)methyl]-N-[(4-methoxyphenyl)methyl]-3-[[(1R)-1-naphthalen-1-ylethyl]amino]propanamide.

Molecular Properties

Compound NameN-[(3,4-dichlorophenyl)methyl]-N-[(4-methoxyphenyl)methyl]-3-[[(1R)-1-naphthalen-1-ylethyl]amino]propanamide
PubChem CID59516668
Molecular FormulaC30H30Cl2N2O2
Molecular Weight521.49 g/mol
Exact Mass520.17
IUPAC NameN-[(3,4-dichlorophenyl)methyl]-N-[(4-methoxyphenyl)methyl]-3-[[(1R)-1-naphthalen-1-ylethyl]amino]propanamide
SMILESCOc1ccc(CN(Cc2ccc(Cl)c(Cl)c2)C(=O)CCN[C@H](C)c2cccc3ccccc23)cc1
InChIInChI=1S/C30H30Cl2N2O2/c1-21(26-9-5-7-24-6-3-4-8-27(24)26)33-17-16-30(35)34(19-22-10-13-25(36-2)14-11-22)20-23-12-15-28(31)29(32)18-23/h3-15,18,21,33H,16-17,19-20H2,1-2H3/t21-/m1/s1
InChIKeyUMOCEYHPPOJHIQ-OAQYLSRUSA-N
XLogP7.42
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500521.49
LogP ≤ 57.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3,4-dichlorophenyl)methyl]-N-[(4-methoxyphenyl)methyl]-3-(1-naphthalen-1-ylethylamino)propanamide
CID 22327602
N-[(4-methylphenyl)methyl]-3-[[(1R)-1-naphthalen-1-ylethyl]amino]-N-[[4-(trifluoromethyl)phenyl]methyl]propanamide
CID 59516678
N-[(4-methoxyphenyl)methyl]-N-methyl-2-(1-naphthalen-1-ylethylamino)acetamide
CID 112800999
2-[[(1R)-1-naphthalen-1-ylethyl]amino]-N,N-bis[[4-(trifluoromethoxy)phenyl]methyl]acetamide
CID 89022612
2-[[(1R)-1-(2-chlorophenyl)ethyl]amino]-N-[(6-methoxynaphthalen-2-yl)methyl]-N-methylacetamide
CID 8598681
N-[(3-chloro-4-methoxyphenyl)methyl]-1-naphthalen-1-ylethanamine;hydrochloride
CID 18357734
2-[(3,4-dichlorophenyl)methyl-[2-(4-methoxyphenyl)acetyl]amino]-N-methylpropanamide
CID 132663475
N-tert-butyl-2-[[2-(3,4-dichlorophenyl)acetyl]-[(4-methoxyphenyl)methyl]amino]propanamide
CID 132717324
(2R)-2-[(3,4-dichlorophenyl)methyl-(3-naphthalen-1-ylpropanoyl)amino]-N-propan-2-ylpropanamide
CID 100704329
(2R)-2-[(3,4-dichlorophenyl)methyl-[2-(4-methoxyphenyl)acetyl]amino]-N-propylpropanamide
CID 100508676
2-(3,4-dichlorophenyl)-N-[1-(2-methoxyphenyl)ethyl]acetamide
CID 4883247
N-[3-[(3,4-dichlorophenyl)methyl-ethylamino]-3-oxopropyl]benzamide
CID 55916150

Frequently Asked Questions

What is the IUPAC name of N-[(3,4-dichlorophenyl)methyl]-N-[(4-methoxyphenyl)methyl]-3-[[(1R)-1-naphthalen-1-ylethyl]amino]propanamide?
The IUPAC name of N-[(3,4-dichlorophenyl)methyl]-N-[(4-methoxyphenyl)methyl]-3-[[(1R)-1-naphthalen-1-ylethyl]amino]propanamide (CID 59516668) is N-[(3,4-dichlorophenyl)methyl]-N-[(4-methoxyphenyl)methyl]-3-[[(1R)-1-naphthalen-1-ylethyl]amino]propanamide.
What is the SMILES notation for N-[(3,4-dichlorophenyl)methyl]-N-[(4-methoxyphenyl)methyl]-3-[[(1R)-1-naphthalen-1-ylethyl]amino]propanamide?
The canonical SMILES for N-[(3,4-dichlorophenyl)methyl]-N-[(4-methoxyphenyl)methyl]-3-[[(1R)-1-naphthalen-1-ylethyl]amino]propanamide is COc1ccc(CN(Cc2ccc(Cl)c(Cl)c2)C(=O)CCN[C@H](C)c2cccc3ccccc23)cc1.
What is the InChIKey of N-[(3,4-dichlorophenyl)methyl]-N-[(4-methoxyphenyl)methyl]-3-[[(1R)-1-naphthalen-1-ylethyl]amino]propanamide?
The InChIKey is UMOCEYHPPOJHIQ-OAQYLSRUSA-N. The full InChI is InChI=1S/C30H30Cl2N2O2/c1-21(26-9-5-7-24-6-3-4-8-27(24)26)33-17-16-30(35)34(19-22-10-13-25(36-2)14-11-22)20-23-12-15-28(31)29(32)18-23/h3-15,18,21,33H,16-17,19-20H2,1-2H3/t21-/m1/s1.
What are the key properties of N-[(3,4-dichlorophenyl)methyl]-N-[(4-methoxyphenyl)methyl]-3-[[(1R)-1-naphthalen-1-ylethyl]amino]propanamide?
N-[(3,4-dichlorophenyl)methyl]-N-[(4-methoxyphenyl)methyl]-3-[[(1R)-1-naphthalen-1-ylethyl]amino]propanamide has a molecular weight of 521.49 g/mol, XLogP of 7.42, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,4-dichlorophenyl)methyl]-N-[(4-methoxyphenyl)methyl]-3-[[(1R)-1-naphthalen-1-ylethyl]amino]propanamide is sourced from PubChem (CID 59516668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).