N-[1-cyclohexyl-3-(methylamino)propan-2-yl]-3-(1-hydroxy-5-methoxy-1-phenylpentyl)cyclohexane-1-carboxamide

C29H48N2O3 — CID 67191638

IUPACN-[1-cyclohexyl-3-(methylamino)propan-2-yl]-3-(1-hydroxy-5-methoxy-1-phenylpentyl)cyclohexane-1-carboxamide
SMILESCNCC(CC1CCCCC1)NC(=O)C1CCCC(C(O)(CCCCOC)c2ccccc2)C1
InChIInChI=1S/C29H48N2O3/c1-30-22-27(20-23-12-5-3-6-13-23)31-28(32)24-14-11-17-26(21-24)29(33,18-9-10-19-34-2)25-15-7-4-8-16-25/h4,7-8,15-16,23-24,26-27,30,33H,3,5-6,9-14,17-22H2,1-2H3,(H,31,32)
InChIKeyCWLOALPDOGDEBJ-UHFFFAOYSA-N
MW472.71 g/mol
LogP5.17
Rot. Bonds13

About N-[1-cyclohexyl-3-(methylamino)propan-2-yl]-3-(1-hydroxy-5-methoxy-1-phenylpentyl)cyclohexane-1-carboxamide

N-[1-cyclohexyl-3-(methylamino)propan-2-yl]-3-(1-hydroxy-5-methoxy-1-phenylpentyl)cyclohexane-1-carboxamide (PubChem CID 67191638) has the molecular formula C29H48N2O3 and a molecular weight of 472.71 g/mol. Its IUPAC name is N-[1-cyclohexyl-3-(methylamino)propan-2-yl]-3-(1-hydroxy-5-methoxy-1-phenylpentyl)cyclohexane-1-carboxamide.

Molecular Properties

Compound NameN-[1-cyclohexyl-3-(methylamino)propan-2-yl]-3-(1-hydroxy-5-methoxy-1-phenylpentyl)cyclohexane-1-carboxamide
PubChem CID67191638
Molecular FormulaC29H48N2O3
Molecular Weight472.71 g/mol
Exact Mass472.37
IUPAC NameN-[1-cyclohexyl-3-(methylamino)propan-2-yl]-3-(1-hydroxy-5-methoxy-1-phenylpentyl)cyclohexane-1-carboxamide
SMILESCNCC(CC1CCCCC1)NC(=O)C1CCCC(C(O)(CCCCOC)c2ccccc2)C1
InChIInChI=1S/C29H48N2O3/c1-30-22-27(20-23-12-5-3-6-13-23)31-28(32)24-14-11-17-26(21-24)29(33,18-9-10-19-34-2)25-15-7-4-8-16-25/h4,7-8,15-16,23-24,26-27,30,33H,3,5-6,9-14,17-22H2,1-2H3,(H,31,32)
InChIKeyCWLOALPDOGDEBJ-UHFFFAOYSA-N
XLogP5.17
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds13
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500472.71
LogP ≤ 55.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

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
N-[1-cyclohexyl-3-(methylamino)propan-2-yl]-3-[1-(2-fluorophenyl)-1-hydroxy-5-methoxypentyl]piperidine-1-carboxamide
CID 67191912
N-[1-cyclohexyl-3-(methylamino)propan-2-yl]-3-[1-(2-cyclopentyloxyphenyl)-1-hydroxy-5-methoxypentyl]piperidine-1-carboxamide
CID 67189812
N-[(2S)-1-amino-3-cyclohexylpropan-2-yl]-3-[(1S)-1-hydroxy-5-methoxy-1-phenylpentyl]piperidine-1-carboxamide
CID 67192556
(3S)-N-[(2R)-1-cyclohexyl-3-(methylamino)propan-2-yl]-3-[(1S)-1-fluoro-5-methoxy-1-phenylpentyl]piperidine-1-carboxamide
CID 91564151
(3R)-N-[1-cyclohexyl-3-(methylamino)propan-2-yl]-3-[(1R)-4-ethoxy-1-hydroxy-1-phenylbutyl]piperidine-1-carboxamide
CID 68708164
(3R)-N-[1-cyclohexyl-3-(methylamino)propan-2-yl]-3-[(1S)-1-(2-fluoro-3-methylphenyl)-1-hydroxy-5-methoxypentyl]piperidine-1-carboxamide
CID 67188538
3-[(1R)-1-(3-chloro-2-methylphenyl)-1-hydroxy-5-methoxypentyl]-N-[(2S)-1-cyclohexyl-3-(methylamino)propan-2-yl]piperidine-1-carboxamide;(3R)-3-[(1S)-1-(3-chloro-2-methylphenyl)-1-hydroxy-5-methoxypentyl]-N-[(2S)-1-cyclohexyl-3-(methylamino)propan-2-yl]piperidine-1-carboxamide
CID 87847381
(3R)-N-[(2S)-1-cyclohexyl-3-(methylamino)propan-2-yl]-3-[(1S)-1-(5-fluoro-2-phenoxyphenyl)-1-hydroxy-5-methoxypentyl]piperidine-1-carboxamide;N-[(2S)-1-cyclohexyl-3-(methylamino)propan-2-yl]piperidine-1-carboxamide
CID 67198116
(3R)-3-[(1S)-1-(1-benzothiophen-2-yl)-1-hydroxy-5-methoxypentyl]-N-[1-cyclohexyl-3-(methylamino)propan-2-yl]piperidine-1-carboxamide
CID 67190967
N-[(2S)-1-cyclohexyl-3-(methylamino)propan-2-yl]-3-(1-hydroxy-5-methoxy-1-phenylpentyl)-3-methylpiperidine-1-carboxamide
CID 68705192

Frequently Asked Questions

What is the IUPAC name of N-[1-cyclohexyl-3-(methylamino)propan-2-yl]-3-(1-hydroxy-5-methoxy-1-phenylpentyl)cyclohexane-1-carboxamide?
The IUPAC name of N-[1-cyclohexyl-3-(methylamino)propan-2-yl]-3-(1-hydroxy-5-methoxy-1-phenylpentyl)cyclohexane-1-carboxamide (CID 67191638) is N-[1-cyclohexyl-3-(methylamino)propan-2-yl]-3-(1-hydroxy-5-methoxy-1-phenylpentyl)cyclohexane-1-carboxamide.
What is the SMILES notation for N-[1-cyclohexyl-3-(methylamino)propan-2-yl]-3-(1-hydroxy-5-methoxy-1-phenylpentyl)cyclohexane-1-carboxamide?
The canonical SMILES for N-[1-cyclohexyl-3-(methylamino)propan-2-yl]-3-(1-hydroxy-5-methoxy-1-phenylpentyl)cyclohexane-1-carboxamide is CNCC(CC1CCCCC1)NC(=O)C1CCCC(C(O)(CCCCOC)c2ccccc2)C1.
What is the InChIKey of N-[1-cyclohexyl-3-(methylamino)propan-2-yl]-3-(1-hydroxy-5-methoxy-1-phenylpentyl)cyclohexane-1-carboxamide?
The InChIKey is CWLOALPDOGDEBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H48N2O3/c1-30-22-27(20-23-12-5-3-6-13-23)31-28(32)24-14-11-17-26(21-24)29(33,18-9-10-19-34-2)25-15-7-4-8-16-25/h4,7-8,15-16,23-24,26-27,30,33H,3,5-6,9-14,17-22H2,1-2H3,(H,31,32).
What are the key properties of N-[1-cyclohexyl-3-(methylamino)propan-2-yl]-3-(1-hydroxy-5-methoxy-1-phenylpentyl)cyclohexane-1-carboxamide?
N-[1-cyclohexyl-3-(methylamino)propan-2-yl]-3-(1-hydroxy-5-methoxy-1-phenylpentyl)cyclohexane-1-carboxamide has a molecular weight of 472.71 g/mol, XLogP of 5.17, 13 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-cyclohexyl-3-(methylamino)propan-2-yl]-3-(1-hydroxy-5-methoxy-1-phenylpentyl)cyclohexane-1-carboxamide is sourced from PubChem (CID 67191638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).