N-cyclohexyl-2-[(2,4-dichlorophenyl)methyl-(3-naphthalen-1-ylpropanoyl)amino]butanamide

C30H34Cl2N2O2 — CID 132622824

IUPACN-cyclohexyl-2-[(2,4-dichlorophenyl)methyl-(3-naphthalen-1-ylpropanoyl)amino]butanamide
SMILESCCC(C(=O)NC1CCCCC1)N(Cc1ccc(Cl)cc1Cl)C(=O)CCc1cccc2ccccc12
InChIInChI=1S/C30H34Cl2N2O2/c1-2-28(30(36)33-25-12-4-3-5-13-25)34(20-23-15-17-24(31)19-27(23)32)29(35)18-16-22-11-8-10-21-9-6-7-14-26(21)22/h6-11,14-15,17,19,25,28H,2-5,12-13,16,18,20H2,1H3,(H,33,36)
InChIKeyLEVUTQIGTLFLTR-UHFFFAOYSA-N
MW525.52 g/mol
LogP7.34
Rot. Bonds9

About N-cyclohexyl-2-[(2,4-dichlorophenyl)methyl-(3-naphthalen-1-ylpropanoyl)amino]butanamide

N-cyclohexyl-2-[(2,4-dichlorophenyl)methyl-(3-naphthalen-1-ylpropanoyl)amino]butanamide (PubChem CID 132622824) has the molecular formula C30H34Cl2N2O2 and a molecular weight of 525.52 g/mol. Its IUPAC name is N-cyclohexyl-2-[(2,4-dichlorophenyl)methyl-(3-naphthalen-1-ylpropanoyl)amino]butanamide.

Molecular Properties

Compound NameN-cyclohexyl-2-[(2,4-dichlorophenyl)methyl-(3-naphthalen-1-ylpropanoyl)amino]butanamide
PubChem CID132622824
Molecular FormulaC30H34Cl2N2O2
Molecular Weight525.52 g/mol
Exact Mass524.20
IUPAC NameN-cyclohexyl-2-[(2,4-dichlorophenyl)methyl-(3-naphthalen-1-ylpropanoyl)amino]butanamide
SMILESCCC(C(=O)NC1CCCCC1)N(Cc1ccc(Cl)cc1Cl)C(=O)CCc1cccc2ccccc12
InChIInChI=1S/C30H34Cl2N2O2/c1-2-28(30(36)33-25-12-4-3-5-13-25)34(20-23-15-17-24(31)19-27(23)32)29(35)18-16-22-11-8-10-21-9-6-7-14-26(21)22/h6-11,14-15,17,19,25,28H,2-5,12-13,16,18,20H2,1H3,(H,33,36)
InChIKeyLEVUTQIGTLFLTR-UHFFFAOYSA-N
XLogP7.34
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500525.52
LogP ≤ 57.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[3-(2-chlorophenyl)propanoyl-[(2,4-dichlorophenyl)methyl]amino]-N-cyclopentylbutanamide
CID 132618808
N-cyclohexyl-2-[(2,4-dichlorophenyl)methyl-(3-phenylpropanoyl)amino]butanamide
CID 132616133
(2R)-2-[(2,4-dichlorophenyl)methyl-(3-naphthalen-1-ylpropanoyl)amino]-N-propylbutanamide
CID 100589316
N-cyclopentyl-2-[(2,4-dichlorophenyl)methyl-(2-phenylacetyl)amino]butanamide
CID 132612519
(2R)-N-cyclohexyl-2-[(4-methylphenyl)methyl-(3-naphthalen-1-ylpropanoyl)amino]butanamide
CID 100548603
N-cyclopentyl-2-[(2,4-dichlorophenyl)methyl-[2-[methylsulfonyl(naphthalen-1-yl)amino]acetyl]amino]butanamide
CID 132633899
N-cyclopentyl-2-[(2,4-dichlorophenyl)methyl-[2-(2-fluorophenyl)acetyl]amino]butanamide
CID 132614801
(2S)-N-cyclohexyl-2-[(2,4-dichlorophenyl)methyl-(2-phenoxyacetyl)amino]butanamide
CID 100569380
(2S)-2-[[2-(3-chlorophenoxy)acetyl]-[(2,4-dichlorophenyl)methyl]amino]-N-cyclohexylbutanamide
CID 100575567
2-[[2-(3-chlorophenoxy)acetyl]-[(2,4-dichlorophenyl)methyl]amino]-N-cyclohexylbutanamide
CID 132620889
2-[4-(4-chlorophenoxy)butanoyl-[(2,4-dichlorophenyl)methyl]amino]-N-cyclohexylbutanamide
CID 132625179
(2R)-2-[4-(4-chlorophenoxy)butanoyl-[(2,4-dichlorophenyl)methyl]amino]-N-cyclohexylbutanamide
CID 100573855

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-2-[(2,4-dichlorophenyl)methyl-(3-naphthalen-1-ylpropanoyl)amino]butanamide?
The IUPAC name of N-cyclohexyl-2-[(2,4-dichlorophenyl)methyl-(3-naphthalen-1-ylpropanoyl)amino]butanamide (CID 132622824) is N-cyclohexyl-2-[(2,4-dichlorophenyl)methyl-(3-naphthalen-1-ylpropanoyl)amino]butanamide.
What is the SMILES notation for N-cyclohexyl-2-[(2,4-dichlorophenyl)methyl-(3-naphthalen-1-ylpropanoyl)amino]butanamide?
The canonical SMILES for N-cyclohexyl-2-[(2,4-dichlorophenyl)methyl-(3-naphthalen-1-ylpropanoyl)amino]butanamide is CCC(C(=O)NC1CCCCC1)N(Cc1ccc(Cl)cc1Cl)C(=O)CCc1cccc2ccccc12.
What is the InChIKey of N-cyclohexyl-2-[(2,4-dichlorophenyl)methyl-(3-naphthalen-1-ylpropanoyl)amino]butanamide?
The InChIKey is LEVUTQIGTLFLTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H34Cl2N2O2/c1-2-28(30(36)33-25-12-4-3-5-13-25)34(20-23-15-17-24(31)19-27(23)32)29(35)18-16-22-11-8-10-21-9-6-7-14-26(21)22/h6-11,14-15,17,19,25,28H,2-5,12-13,16,18,20H2,1H3,(H,33,36).
What are the key properties of N-cyclohexyl-2-[(2,4-dichlorophenyl)methyl-(3-naphthalen-1-ylpropanoyl)amino]butanamide?
N-cyclohexyl-2-[(2,4-dichlorophenyl)methyl-(3-naphthalen-1-ylpropanoyl)amino]butanamide has a molecular weight of 525.52 g/mol, XLogP of 7.34, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-2-[(2,4-dichlorophenyl)methyl-(3-naphthalen-1-ylpropanoyl)amino]butanamide is sourced from PubChem (CID 132622824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).