N-[1-(4-chlorophenyl)-3-(dimethylamino)propyl]-3-(4-methoxyphenyl)propanamide

C21H27ClN2O2 — CID 15983449

IUPACN-[1-(4-chlorophenyl)-3-(dimethylamino)propyl]-3-(4-methoxyphenyl)propanamide
SMILESCOc1ccc(CCC(=O)NC(CCN(C)C)c2ccc(Cl)cc2)cc1
InChIInChI=1S/C21H27ClN2O2/c1-24(2)15-14-20(17-7-9-18(22)10-8-17)23-21(25)13-6-16-4-11-19(26-3)12-5-16/h4-5,7-12,20H,6,13-15H2,1-3H3,(H,23,25)
InChIKeyBMMSRFZZLSBZRR-UHFFFAOYSA-N
MW374.91 g/mol
LogP4.09
Rot. Bonds9

About N-[1-(4-chlorophenyl)-3-(dimethylamino)propyl]-3-(4-methoxyphenyl)propanamide

N-[1-(4-chlorophenyl)-3-(dimethylamino)propyl]-3-(4-methoxyphenyl)propanamide (PubChem CID 15983449) has the molecular formula C21H27ClN2O2 and a molecular weight of 374.91 g/mol. Its IUPAC name is N-[1-(4-chlorophenyl)-3-(dimethylamino)propyl]-3-(4-methoxyphenyl)propanamide.

Molecular Properties

Compound NameN-[1-(4-chlorophenyl)-3-(dimethylamino)propyl]-3-(4-methoxyphenyl)propanamide
PubChem CID15983449
Molecular FormulaC21H27ClN2O2
Molecular Weight374.91 g/mol
Exact Mass374.18
IUPAC NameN-[1-(4-chlorophenyl)-3-(dimethylamino)propyl]-3-(4-methoxyphenyl)propanamide
SMILESCOc1ccc(CCC(=O)NC(CCN(C)C)c2ccc(Cl)cc2)cc1
InChIInChI=1S/C21H27ClN2O2/c1-24(2)15-14-20(17-7-9-18(22)10-8-17)23-21(25)13-6-16-4-11-19(26-3)12-5-16/h4-5,7-12,20H,6,13-15H2,1-3H3,(H,23,25)
InChIKeyBMMSRFZZLSBZRR-UHFFFAOYSA-N
XLogP4.09
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.91
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-benzyl-2-(4-methoxyphenyl)acetamide
CID 795936
N-[1-(4-methoxyphenyl)ethyl]-3-phenylpropanamide
CID 2877039
Stk072897
CID 342164
(3,4-Dichlorobenzyl)[3-(4-methoxyphenyl)-1-methylpropyl]amine
CID 2846345
8-(4-Methoxyphenyl)-1,5,9,13-tetrazacycloheptadecan-6-one
CID 495493
4-Chloro-N-(3,4-dimethoxyphenethyl)benzamide
CID 300901
1-(4-chlorophenyl)-N-[(2R)-1-[[4-(dimethylamino)cyclohexyl]amino]-3-(4-methoxyphenyl)-1-oxopropan-2-yl]cyclopropane-1-carboxamide
CID 56666701
N-benzyl-2-(4-methoxyphenyl)-N-propan-2-ylacetamide
CID 755425
N-[2-(4-methoxyphenyl)ethyl]-4-phenylbutanamide
CID 885698
4-(4-methoxyphenyl)-N-(2-phenylethyl)butanamide
CID 1716197
3-(4-methoxyphenyl)-N-[(2-methoxyphenyl)methyl]propanamide
CID 2399645
N-(1-benzylpiperidin-4-yl)-2-(2-methoxyphenyl)acetamide
CID 2729533

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-chlorophenyl)-3-(dimethylamino)propyl]-3-(4-methoxyphenyl)propanamide?
The IUPAC name of N-[1-(4-chlorophenyl)-3-(dimethylamino)propyl]-3-(4-methoxyphenyl)propanamide (CID 15983449) is N-[1-(4-chlorophenyl)-3-(dimethylamino)propyl]-3-(4-methoxyphenyl)propanamide.
What is the SMILES notation for N-[1-(4-chlorophenyl)-3-(dimethylamino)propyl]-3-(4-methoxyphenyl)propanamide?
The canonical SMILES for N-[1-(4-chlorophenyl)-3-(dimethylamino)propyl]-3-(4-methoxyphenyl)propanamide is COc1ccc(CCC(=O)NC(CCN(C)C)c2ccc(Cl)cc2)cc1.
What is the InChIKey of N-[1-(4-chlorophenyl)-3-(dimethylamino)propyl]-3-(4-methoxyphenyl)propanamide?
The InChIKey is BMMSRFZZLSBZRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27ClN2O2/c1-24(2)15-14-20(17-7-9-18(22)10-8-17)23-21(25)13-6-16-4-11-19(26-3)12-5-16/h4-5,7-12,20H,6,13-15H2,1-3H3,(H,23,25).
What are the key properties of N-[1-(4-chlorophenyl)-3-(dimethylamino)propyl]-3-(4-methoxyphenyl)propanamide?
N-[1-(4-chlorophenyl)-3-(dimethylamino)propyl]-3-(4-methoxyphenyl)propanamide has a molecular weight of 374.91 g/mol, XLogP of 4.09, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-chlorophenyl)-3-(dimethylamino)propyl]-3-(4-methoxyphenyl)propanamide is sourced from PubChem (CID 15983449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).