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

C20H31ClN2O — CID 110278624

IUPACN-[1-(4-chlorophenyl)-3-(dimethylamino)propyl]-3-cyclohexylpropanamide
SMILESCN(C)CCC(NC(=O)CCC1CCCCC1)c1ccc(Cl)cc1
InChIInChI=1S/C20H31ClN2O/c1-23(2)15-14-19(17-9-11-18(21)12-10-17)22-20(24)13-8-16-6-4-3-5-7-16/h9-12,16,19H,3-8,13-15H2,1-2H3,(H,22,24)
InChIKeyPAGJSLHLAICVLN-UHFFFAOYSA-N
MW350.93 g/mol
LogP4.81
Rot. Bonds8

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

N-[1-(4-chlorophenyl)-3-(dimethylamino)propyl]-3-cyclohexylpropanamide (PubChem CID 110278624) has the molecular formula C20H31ClN2O and a molecular weight of 350.93 g/mol. Its IUPAC name is N-[1-(4-chlorophenyl)-3-(dimethylamino)propyl]-3-cyclohexylpropanamide.

Molecular Properties

Compound NameN-[1-(4-chlorophenyl)-3-(dimethylamino)propyl]-3-cyclohexylpropanamide
PubChem CID110278624
Molecular FormulaC20H31ClN2O
Molecular Weight350.93 g/mol
Exact Mass350.21
IUPAC NameN-[1-(4-chlorophenyl)-3-(dimethylamino)propyl]-3-cyclohexylpropanamide
SMILESCN(C)CCC(NC(=O)CCC1CCCCC1)c1ccc(Cl)cc1
InChIInChI=1S/C20H31ClN2O/c1-23(2)15-14-19(17-9-11-18(21)12-10-17)22-20(24)13-8-16-6-4-3-5-7-16/h9-12,16,19H,3-8,13-15H2,1-2H3,(H,22,24)
InChIKeyPAGJSLHLAICVLN-UHFFFAOYSA-N
XLogP4.81
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.93
LogP ≤ 54.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-(4-chlorophenyl)-3-(dimethylamino)propyl]cyclobutanecarboxamide
CID 110278622
N-[1-(4-chlorophenyl)-3-(dimethylamino)propyl]-4-oxo-4-pyrrolidin-1-ylbutanamide
CID 110278509
2-(4-chlorophenyl)-N-[1-(4-chlorophenyl)-3-(dimethylamino)propyl]acetamide
CID 110278648
N-[1-(4-chlorophenyl)-3-(dimethylamino)propyl]-3-(4-fluorophenyl)propanamide
CID 110278571
N-[1-(4-chlorophenyl)propyl]-3-piperidin-4-ylpropanamide
CID 62211240
N-[1-(4-chlorophenyl)-3-(dimethylamino)propyl]-2-(4-methoxyphenyl)acetamide
CID 15983443
3-cyclopentyl-N-[(1R)-2-hydroxy-1-phenylethyl]propanamide
CID 103772689
N'-[1-(4-chlorophenyl)-3-(dimethylamino)propyl]-N-(5-ethyl-1,3,4-thiadiazol-2-yl)butanediamide
CID 110278461
2-(4-bromo-3,5-dimethylpyrazol-1-yl)-N-[1-(4-chlorophenyl)-3-(dimethylamino)propyl]acetamide
CID 110278378
N-[1-(4-chlorophenyl)-3-(dimethylamino)propyl]pyridine-4-carboxamide
CID 110278637
N-[1-(4-chlorophenyl)-3-(dimethylamino)propyl]-2-(3,5-dimethylpyrazol-1-yl)acetamide
CID 110278380
N-[1-(4-chlorophenyl)-3-(dimethylamino)propyl]-2-methoxybenzamide
CID 110278628

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-chlorophenyl)-3-(dimethylamino)propyl]-3-cyclohexylpropanamide?
The IUPAC name of N-[1-(4-chlorophenyl)-3-(dimethylamino)propyl]-3-cyclohexylpropanamide (CID 110278624) is N-[1-(4-chlorophenyl)-3-(dimethylamino)propyl]-3-cyclohexylpropanamide.
What is the SMILES notation for N-[1-(4-chlorophenyl)-3-(dimethylamino)propyl]-3-cyclohexylpropanamide?
The canonical SMILES for N-[1-(4-chlorophenyl)-3-(dimethylamino)propyl]-3-cyclohexylpropanamide is CN(C)CCC(NC(=O)CCC1CCCCC1)c1ccc(Cl)cc1.
What is the InChIKey of N-[1-(4-chlorophenyl)-3-(dimethylamino)propyl]-3-cyclohexylpropanamide?
The InChIKey is PAGJSLHLAICVLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31ClN2O/c1-23(2)15-14-19(17-9-11-18(21)12-10-17)22-20(24)13-8-16-6-4-3-5-7-16/h9-12,16,19H,3-8,13-15H2,1-2H3,(H,22,24).
What are the key properties of N-[1-(4-chlorophenyl)-3-(dimethylamino)propyl]-3-cyclohexylpropanamide?
N-[1-(4-chlorophenyl)-3-(dimethylamino)propyl]-3-cyclohexylpropanamide has a molecular weight of 350.93 g/mol, XLogP of 4.81, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-chlorophenyl)-3-(dimethylamino)propyl]-3-cyclohexylpropanamide is sourced from PubChem (CID 110278624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).