N-cyclohexyl-2-[(3-methylphenyl)methyl-(2-naphthalen-1-yloxyacetyl)amino]butanamide

C30H36N2O3 — CID 132615744

IUPACN-cyclohexyl-2-[(3-methylphenyl)methyl-(2-naphthalen-1-yloxyacetyl)amino]butanamide
SMILESCCC(C(=O)NC1CCCCC1)N(Cc1cccc(C)c1)C(=O)COc1cccc2ccccc12
InChIInChI=1S/C30H36N2O3/c1-3-27(30(34)31-25-15-5-4-6-16-25)32(20-23-12-9-11-22(2)19-23)29(33)21-35-28-18-10-14-24-13-7-8-17-26(24)28/h7-14,17-19,25,27H,3-6,15-16,20-21H2,1-2H3,(H,31,34)
InChIKeyODYBCIJSAQNSRK-UHFFFAOYSA-N
MW472.63 g/mol
LogP5.78
Rot. Bonds9

About N-cyclohexyl-2-[(3-methylphenyl)methyl-(2-naphthalen-1-yloxyacetyl)amino]butanamide

N-cyclohexyl-2-[(3-methylphenyl)methyl-(2-naphthalen-1-yloxyacetyl)amino]butanamide (PubChem CID 132615744) has the molecular formula C30H36N2O3 and a molecular weight of 472.63 g/mol. Its IUPAC name is N-cyclohexyl-2-[(3-methylphenyl)methyl-(2-naphthalen-1-yloxyacetyl)amino]butanamide.

Molecular Properties

Compound NameN-cyclohexyl-2-[(3-methylphenyl)methyl-(2-naphthalen-1-yloxyacetyl)amino]butanamide
PubChem CID132615744
Molecular FormulaC30H36N2O3
Molecular Weight472.63 g/mol
Exact Mass472.27
IUPAC NameN-cyclohexyl-2-[(3-methylphenyl)methyl-(2-naphthalen-1-yloxyacetyl)amino]butanamide
SMILESCCC(C(=O)NC1CCCCC1)N(Cc1cccc(C)c1)C(=O)COc1cccc2ccccc12
InChIInChI=1S/C30H36N2O3/c1-3-27(30(34)31-25-15-5-4-6-16-25)32(20-23-12-9-11-22(2)19-23)29(33)21-35-28-18-10-14-24-13-7-8-17-26(24)28/h7-14,17-19,25,27H,3-6,15-16,20-21H2,1-2H3,(H,31,34)
InChIKeyODYBCIJSAQNSRK-UHFFFAOYSA-N
XLogP5.78
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500472.63
LogP ≤ 55.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-N-cyclohexyl-2-[[2-(2-methoxyphenoxy)acetyl]-[(3-methylphenyl)methyl]amino]butanamide
CID 100535664
N-cyclopentyl-2-[(4-methylphenyl)methyl-(2-naphthalen-1-yloxyacetyl)amino]butanamide
CID 132613892
(2R)-N-cyclohexyl-2-[(3-methoxyphenyl)methyl-(2-naphthalen-1-yloxyacetyl)amino]butanamide
CID 100592578
N-cyclohexyl-2-[(3,4-dichlorophenyl)methyl-(2-naphthalen-1-yloxyacetyl)amino]butanamide
CID 132623087
N-cyclopentyl-2-[(3-methylphenyl)methyl-[2-(2-propan-2-ylphenoxy)acetyl]amino]butanamide
CID 132612918
(2S)-2-[(4-chlorophenyl)methyl-(2-naphthalen-1-yloxyacetyl)amino]-N-cyclohexylbutanamide
CID 100560742
N-butyl-2-[(3-methylphenyl)methyl-(2-naphthalen-1-yloxyacetyl)amino]butanamide
CID 132715907
N-cyclohexyl-2-[(2-methylphenyl)methyl-(2-naphthalen-1-yloxyacetyl)amino]butanamide
CID 132615742
N-cyclohexyl-2-[[2-(4-fluorophenoxy)acetyl]-[(3-methylphenyl)methyl]amino]butanamide
CID 132611757
(2R)-N-cyclohexyl-2-[(4-methylphenyl)methyl-(2-naphthalen-1-yloxyacetyl)amino]-3-phenylpropanamide
CID 100589127
N-cyclohexyl-2-[(4-methylphenyl)methyl-(2-naphthalen-1-yloxyacetyl)amino]-3-phenylpropanamide
CID 133176812
N-cyclohexyl-2-[[2-(3-methylphenyl)acetyl]-[(3-methylphenyl)methyl]amino]butanamide
CID 132947792

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-2-[(3-methylphenyl)methyl-(2-naphthalen-1-yloxyacetyl)amino]butanamide?
The IUPAC name of N-cyclohexyl-2-[(3-methylphenyl)methyl-(2-naphthalen-1-yloxyacetyl)amino]butanamide (CID 132615744) is N-cyclohexyl-2-[(3-methylphenyl)methyl-(2-naphthalen-1-yloxyacetyl)amino]butanamide.
What is the SMILES notation for N-cyclohexyl-2-[(3-methylphenyl)methyl-(2-naphthalen-1-yloxyacetyl)amino]butanamide?
The canonical SMILES for N-cyclohexyl-2-[(3-methylphenyl)methyl-(2-naphthalen-1-yloxyacetyl)amino]butanamide is CCC(C(=O)NC1CCCCC1)N(Cc1cccc(C)c1)C(=O)COc1cccc2ccccc12.
What is the InChIKey of N-cyclohexyl-2-[(3-methylphenyl)methyl-(2-naphthalen-1-yloxyacetyl)amino]butanamide?
The InChIKey is ODYBCIJSAQNSRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H36N2O3/c1-3-27(30(34)31-25-15-5-4-6-16-25)32(20-23-12-9-11-22(2)19-23)29(33)21-35-28-18-10-14-24-13-7-8-17-26(24)28/h7-14,17-19,25,27H,3-6,15-16,20-21H2,1-2H3,(H,31,34).
What are the key properties of N-cyclohexyl-2-[(3-methylphenyl)methyl-(2-naphthalen-1-yloxyacetyl)amino]butanamide?
N-cyclohexyl-2-[(3-methylphenyl)methyl-(2-naphthalen-1-yloxyacetyl)amino]butanamide has a molecular weight of 472.63 g/mol, XLogP of 5.78, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-2-[(3-methylphenyl)methyl-(2-naphthalen-1-yloxyacetyl)amino]butanamide is sourced from PubChem (CID 132615744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).