N-cyclohexyl-2-[3-naphthalen-1-ylpropanoyl(2-phenylethyl)amino]butanamide

C31H38N2O2 — CID 132615507

IUPACN-cyclohexyl-2-[3-naphthalen-1-ylpropanoyl(2-phenylethyl)amino]butanamide
SMILESCCC(C(=O)NC1CCCCC1)N(CCc1ccccc1)C(=O)CCc1cccc2ccccc12
InChIInChI=1S/C31H38N2O2/c1-2-29(31(35)32-27-17-7-4-8-18-27)33(23-22-24-12-5-3-6-13-24)30(34)21-20-26-16-11-15-25-14-9-10-19-28(25)26/h3,5-6,9-16,19,27,29H,2,4,7-8,17-18,20-23H2,1H3,(H,32,35)
InChIKeyOSVVTBPXBDEGFJ-UHFFFAOYSA-N
MW470.66 g/mol
LogP6.07
Rot. Bonds10

About N-cyclohexyl-2-[3-naphthalen-1-ylpropanoyl(2-phenylethyl)amino]butanamide

N-cyclohexyl-2-[3-naphthalen-1-ylpropanoyl(2-phenylethyl)amino]butanamide (PubChem CID 132615507) has the molecular formula C31H38N2O2 and a molecular weight of 470.66 g/mol. Its IUPAC name is N-cyclohexyl-2-[3-naphthalen-1-ylpropanoyl(2-phenylethyl)amino]butanamide.

Molecular Properties

Compound NameN-cyclohexyl-2-[3-naphthalen-1-ylpropanoyl(2-phenylethyl)amino]butanamide
PubChem CID132615507
Molecular FormulaC31H38N2O2
Molecular Weight470.66 g/mol
Exact Mass470.29
IUPAC NameN-cyclohexyl-2-[3-naphthalen-1-ylpropanoyl(2-phenylethyl)amino]butanamide
SMILESCCC(C(=O)NC1CCCCC1)N(CCc1ccccc1)C(=O)CCc1cccc2ccccc12
InChIInChI=1S/C31H38N2O2/c1-2-29(31(35)32-27-17-7-4-8-18-27)33(23-22-24-12-5-3-6-13-24)30(34)21-20-26-16-11-15-25-14-9-10-19-28(25)26/h3,5-6,9-16,19,27,29H,2,4,7-8,17-18,20-23H2,1H3,(H,32,35)
InChIKeyOSVVTBPXBDEGFJ-UHFFFAOYSA-N
XLogP6.07
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500470.66
LogP ≤ 56.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-N-cyclohexyl-2-[(2-phenylacetyl)-(2-phenylethyl)amino]butanamide
CID 100601484
(2S)-2-[3-naphthalen-1-ylpropanoyl(2-phenylethyl)amino]-N-propylbutanamide
CID 100637571
(2R)-N-cyclohexyl-2-[(4-methylphenyl)methyl-(3-naphthalen-1-ylpropanoyl)amino]butanamide
CID 100548603
(2R)-N-cyclohexyl-2-[2-phenylethyl-[3-(4-propan-2-ylphenyl)propanoyl]amino]butanamide
CID 100607646
(2S)-N-cyclohexyl-2-[[2-(3-methylphenyl)acetyl]-(2-phenylethyl)amino]butanamide
CID 100608811
N-cyclopentyl-2-[2-phenylethyl(3-phenylsulfanylpropanoyl)amino]butanamide
CID 132611624
N-cyclohexyl-2-[(2,4-dichlorophenyl)methyl-(3-naphthalen-1-ylpropanoyl)amino]butanamide
CID 132622824
(2R)-N-cyclohexyl-2-[[2-(2,5-dimethylphenyl)acetyl]-(2-phenylethyl)amino]butanamide
CID 100607515
(2R)-N-cyclohexyl-2-[2-phenylethyl(3-phenylpropanoyl)amino]propanamide
CID 100517141
(2R)-N-cyclohexyl-2-[4-(4-methylphenoxy)butanoyl-(2-phenylethyl)amino]butanamide
CID 100606400
2-[3-(4-chlorophenyl)sulfanylpropanoyl-(2-phenylethyl)amino]-N-cyclohexylbutanamide
CID 132617687
(2S)-2-[benzyl(butanoyl)amino]-N-cyclohexylbutanamide
CID 100528481

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-2-[3-naphthalen-1-ylpropanoyl(2-phenylethyl)amino]butanamide?
The IUPAC name of N-cyclohexyl-2-[3-naphthalen-1-ylpropanoyl(2-phenylethyl)amino]butanamide (CID 132615507) is N-cyclohexyl-2-[3-naphthalen-1-ylpropanoyl(2-phenylethyl)amino]butanamide.
What is the SMILES notation for N-cyclohexyl-2-[3-naphthalen-1-ylpropanoyl(2-phenylethyl)amino]butanamide?
The canonical SMILES for N-cyclohexyl-2-[3-naphthalen-1-ylpropanoyl(2-phenylethyl)amino]butanamide is CCC(C(=O)NC1CCCCC1)N(CCc1ccccc1)C(=O)CCc1cccc2ccccc12.
What is the InChIKey of N-cyclohexyl-2-[3-naphthalen-1-ylpropanoyl(2-phenylethyl)amino]butanamide?
The InChIKey is OSVVTBPXBDEGFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H38N2O2/c1-2-29(31(35)32-27-17-7-4-8-18-27)33(23-22-24-12-5-3-6-13-24)30(34)21-20-26-16-11-15-25-14-9-10-19-28(25)26/h3,5-6,9-16,19,27,29H,2,4,7-8,17-18,20-23H2,1H3,(H,32,35).
What are the key properties of N-cyclohexyl-2-[3-naphthalen-1-ylpropanoyl(2-phenylethyl)amino]butanamide?
N-cyclohexyl-2-[3-naphthalen-1-ylpropanoyl(2-phenylethyl)amino]butanamide has a molecular weight of 470.66 g/mol, XLogP of 6.07, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-2-[3-naphthalen-1-ylpropanoyl(2-phenylethyl)amino]butanamide is sourced from PubChem (CID 132615507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).