N-[1-cyclohexyl-3-(methylamino)propan-2-yl]-3-[(1S)-5-methoxy-1-phenylpentyl]benzamide

C29H42N2O2 — CID 67190814

IUPACN-[1-cyclohexyl-3-(methylamino)propan-2-yl]-3-[(1S)-5-methoxy-1-phenylpentyl]benzamide
SMILESCNCC(CC1CCCCC1)NC(=O)c1cccc([C@@H](CCCCOC)c2ccccc2)c1
InChIInChI=1S/C29H42N2O2/c1-30-22-27(20-23-12-5-3-6-13-23)31-29(32)26-17-11-16-25(21-26)28(18-9-10-19-33-2)24-14-7-4-8-15-24/h4,7-8,11,14-17,21,23,27-28,30H,3,5-6,9-10,12-13,18-20,22H2,1-2H3,(H,31,32)/t27?,28-/m0/s1
InChIKeyWIGQQKHARIWVQT-CPRJBALCSA-N
MW450.67 g/mol
LogP5.92
Rot. Bonds13

About N-[1-cyclohexyl-3-(methylamino)propan-2-yl]-3-[(1S)-5-methoxy-1-phenylpentyl]benzamide

N-[1-cyclohexyl-3-(methylamino)propan-2-yl]-3-[(1S)-5-methoxy-1-phenylpentyl]benzamide (PubChem CID 67190814) has the molecular formula C29H42N2O2 and a molecular weight of 450.67 g/mol. Its IUPAC name is N-[1-cyclohexyl-3-(methylamino)propan-2-yl]-3-[(1S)-5-methoxy-1-phenylpentyl]benzamide.

Molecular Properties

Compound NameN-[1-cyclohexyl-3-(methylamino)propan-2-yl]-3-[(1S)-5-methoxy-1-phenylpentyl]benzamide
PubChem CID67190814
Molecular FormulaC29H42N2O2
Molecular Weight450.67 g/mol
Exact Mass450.32
IUPAC NameN-[1-cyclohexyl-3-(methylamino)propan-2-yl]-3-[(1S)-5-methoxy-1-phenylpentyl]benzamide
SMILESCNCC(CC1CCCCC1)NC(=O)c1cccc([C@@H](CCCCOC)c2ccccc2)c1
InChIInChI=1S/C29H42N2O2/c1-30-22-27(20-23-12-5-3-6-13-23)31-29(32)26-17-11-16-25(21-26)28(18-9-10-19-33-2)24-14-7-4-8-15-24/h4,7-8,11,14-17,21,23,27-28,30H,3,5-6,9-10,12-13,18-20,22H2,1-2H3,(H,31,32)/t27?,28-/m0/s1
InChIKeyWIGQQKHARIWVQT-CPRJBALCSA-N
XLogP5.92
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds13
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500450.67
LogP ≤ 55.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[(2S)-1-cyclohexyl-3-(methylamino)propan-2-yl]-3-[2-ethoxyethoxy(phenyl)methyl]benzamide
CID 67190776
(3S)-N-[(2R)-1-cyclohexyl-3-(methylamino)propan-2-yl]-3-[(1S)-1-fluoro-5-methoxy-1-phenylpentyl]piperidine-1-carboxamide
CID 91564151
2-[(R)-(3-chlorophenyl)-[3-[[(2S)-1-(methylamino)-3-(oxan-4-yl)propan-2-yl]carbamoyl]phenyl]methoxy]ethylcarbamic acid
CID 25183940
N-[1-cyclohexyl-3-(methylamino)propan-2-yl]-3-(1-hydroxy-5-methoxy-1-phenylpentyl)cyclohexane-1-carboxamide
CID 67191638
N-[1-cyclohexyl-3-(methylamino)propan-2-yl]-3-[1-(2-fluoro-5-methylphenyl)-5-methoxypentyl]piperidine-1-carboxamide
CID 67190467
3-[1-(3-chlorophenyl)-1,5-dimethoxypentyl]-N-[1-cyclohexyl-3-(methylamino)propan-2-yl]piperidine-1-carboxamide
CID 67191243
(3Z,5E,7Z)-N-[(2S)-1-cyclohexyl-3-(methylamino)propan-2-yl]-7-[(S)-3-methoxypropoxy(phenyl)methyl]-2-methyl-1,2,8,9,10,10a-hexahydrocyclopenta[b]azonine-5-carboxamide
CID 143215164
N-[1-cyclohexyl-3-(methylamino)propan-2-yl]-3-[1-(3-fluorophenyl)-1-hydroxy-5-methoxypentyl]piperidine-1-carboxamide
CID 11584044
N-[1-cyclohexyl-3-(methylamino)propan-2-yl]-3-[1-hydroxy-5-methoxy-1-[3-(trifluoromethyl)phenyl]pentyl]piperidine-1-carboxamide
CID 11555687
(2R)-2-[(1R)-1-(3-chlorophenyl)-1-hydroxy-5-methoxypentyl]-N-[1-cyclohexyl-3-(methylamino)propan-2-yl]morpholine-4-carboxamide
CID 67193017
N-[(2R)-1-cyclohexyl-3-[[(2R)-1-(methylamino)hexan-2-yl]amino]propan-2-yl]-3,4,5-trihydroxybenzamide
CID 10295753
N-[(2S)-1-cyclohexyl-3-[[(2S)-1-(methylamino)hexan-2-yl]amino]propan-2-yl]-3,4,5-trihydroxybenzamide
CID 10273736

Frequently Asked Questions

What is the IUPAC name of N-[1-cyclohexyl-3-(methylamino)propan-2-yl]-3-[(1S)-5-methoxy-1-phenylpentyl]benzamide?
The IUPAC name of N-[1-cyclohexyl-3-(methylamino)propan-2-yl]-3-[(1S)-5-methoxy-1-phenylpentyl]benzamide (CID 67190814) is N-[1-cyclohexyl-3-(methylamino)propan-2-yl]-3-[(1S)-5-methoxy-1-phenylpentyl]benzamide.
What is the SMILES notation for N-[1-cyclohexyl-3-(methylamino)propan-2-yl]-3-[(1S)-5-methoxy-1-phenylpentyl]benzamide?
The canonical SMILES for N-[1-cyclohexyl-3-(methylamino)propan-2-yl]-3-[(1S)-5-methoxy-1-phenylpentyl]benzamide is CNCC(CC1CCCCC1)NC(=O)c1cccc([C@@H](CCCCOC)c2ccccc2)c1.
What is the InChIKey of N-[1-cyclohexyl-3-(methylamino)propan-2-yl]-3-[(1S)-5-methoxy-1-phenylpentyl]benzamide?
The InChIKey is WIGQQKHARIWVQT-CPRJBALCSA-N. The full InChI is InChI=1S/C29H42N2O2/c1-30-22-27(20-23-12-5-3-6-13-23)31-29(32)26-17-11-16-25(21-26)28(18-9-10-19-33-2)24-14-7-4-8-15-24/h4,7-8,11,14-17,21,23,27-28,30H,3,5-6,9-10,12-13,18-20,22H2,1-2H3,(H,31,32)/t27?,28-/m0/s1.
What are the key properties of N-[1-cyclohexyl-3-(methylamino)propan-2-yl]-3-[(1S)-5-methoxy-1-phenylpentyl]benzamide?
N-[1-cyclohexyl-3-(methylamino)propan-2-yl]-3-[(1S)-5-methoxy-1-phenylpentyl]benzamide has a molecular weight of 450.67 g/mol, XLogP of 5.92, 13 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-cyclohexyl-3-(methylamino)propan-2-yl]-3-[(1S)-5-methoxy-1-phenylpentyl]benzamide is sourced from PubChem (CID 67190814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).