N-benzyl-3-[cyclohexyl(cyclohexylcarbamoyl)amino]-N-(2-phenylethyl)propanamide

C31H43N3O2 — CID 42699430

IUPACN-benzyl-3-[cyclohexyl(cyclohexylcarbamoyl)amino]-N-(2-phenylethyl)propanamide
SMILESO=C(CCN(C(=O)NC1CCCCC1)C1CCCCC1)N(CCc1ccccc1)Cc1ccccc1
InChIInChI=1S/C31H43N3O2/c35-30(33(25-27-15-7-2-8-16-27)23-21-26-13-5-1-6-14-26)22-24-34(29-19-11-4-12-20-29)31(36)32-28-17-9-3-10-18-28/h1-2,5-8,13-16,28-29H,3-4,9-12,17-25H2,(H,32,36)
InChIKeyAIOXMTJEKOALKS-UHFFFAOYSA-N
MW489.70 g/mol
LogP6.32
Rot. Bonds10

About N-benzyl-3-[cyclohexyl(cyclohexylcarbamoyl)amino]-N-(2-phenylethyl)propanamide

N-benzyl-3-[cyclohexyl(cyclohexylcarbamoyl)amino]-N-(2-phenylethyl)propanamide (PubChem CID 42699430) has the molecular formula C31H43N3O2 and a molecular weight of 489.70 g/mol. Its IUPAC name is N-benzyl-3-[cyclohexyl(cyclohexylcarbamoyl)amino]-N-(2-phenylethyl)propanamide.

Molecular Properties

Compound NameN-benzyl-3-[cyclohexyl(cyclohexylcarbamoyl)amino]-N-(2-phenylethyl)propanamide
PubChem CID42699430
Molecular FormulaC31H43N3O2
Molecular Weight489.70 g/mol
Exact Mass489.34
IUPAC NameN-benzyl-3-[cyclohexyl(cyclohexylcarbamoyl)amino]-N-(2-phenylethyl)propanamide
SMILESO=C(CCN(C(=O)NC1CCCCC1)C1CCCCC1)N(CCc1ccccc1)Cc1ccccc1
InChIInChI=1S/C31H43N3O2/c35-30(33(25-27-15-7-2-8-16-27)23-21-26-13-5-1-6-14-26)22-24-34(29-19-11-4-12-20-29)31(36)32-28-17-9-3-10-18-28/h1-2,5-8,13-16,28-29H,3-4,9-12,17-25H2,(H,32,36)
InChIKeyAIOXMTJEKOALKS-UHFFFAOYSA-N
XLogP6.32
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500489.70
LogP ≤ 56.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-benzyl-3-[cyclohexyl-[[2-(trifluoromethyl)phenyl]carbamoyl]amino]-N-(2-phenylethyl)propanamide
CID 42699431
1-benzyl-3-cyclohexyl-1-(2-phenylethyl)thiourea
CID 2470828
methyl 3-[benzyl(cyclohexylcarbamoyl)amino]propanoate
CID 42697991
N-benzyl-3-phenyl-N-(2-phenylethyl)propanamide
CID 42775856
1-benzyl-3-cyclohexyl-1-phenylurea
CID 602977
1-benzyl-1-(2-cyanoethyl)-3-cyclohexylurea
CID 4685266
3-[cyclooctylcarbamoyl(cyclopropyl)amino]propanoic acid
CID 61181431
N',N'-dibenzyl-N-cyclopentyloxamide
CID 108505966
1-benzyl-1-[[4-[2-(4-butylphenyl)ethynyl]phenyl]methyl]-3-cyclohexylurea
CID 141132755
2-(cyclohexylamino)-N-(furan-2-ylmethyl)-N-(2-phenylethyl)acetamide
CID 42771796
3-[cyclohexyl(3-phenylpropyl)amino]propanoic acid
CID 82329050
(2R)-N-cyclohexyl-2-[2-phenylethyl(3-phenylpropanoyl)amino]propanamide
CID 100517141

Frequently Asked Questions

What is the IUPAC name of N-benzyl-3-[cyclohexyl(cyclohexylcarbamoyl)amino]-N-(2-phenylethyl)propanamide?
The IUPAC name of N-benzyl-3-[cyclohexyl(cyclohexylcarbamoyl)amino]-N-(2-phenylethyl)propanamide (CID 42699430) is N-benzyl-3-[cyclohexyl(cyclohexylcarbamoyl)amino]-N-(2-phenylethyl)propanamide.
What is the SMILES notation for N-benzyl-3-[cyclohexyl(cyclohexylcarbamoyl)amino]-N-(2-phenylethyl)propanamide?
The canonical SMILES for N-benzyl-3-[cyclohexyl(cyclohexylcarbamoyl)amino]-N-(2-phenylethyl)propanamide is O=C(CCN(C(=O)NC1CCCCC1)C1CCCCC1)N(CCc1ccccc1)Cc1ccccc1.
What is the InChIKey of N-benzyl-3-[cyclohexyl(cyclohexylcarbamoyl)amino]-N-(2-phenylethyl)propanamide?
The InChIKey is AIOXMTJEKOALKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H43N3O2/c35-30(33(25-27-15-7-2-8-16-27)23-21-26-13-5-1-6-14-26)22-24-34(29-19-11-4-12-20-29)31(36)32-28-17-9-3-10-18-28/h1-2,5-8,13-16,28-29H,3-4,9-12,17-25H2,(H,32,36).
What are the key properties of N-benzyl-3-[cyclohexyl(cyclohexylcarbamoyl)amino]-N-(2-phenylethyl)propanamide?
N-benzyl-3-[cyclohexyl(cyclohexylcarbamoyl)amino]-N-(2-phenylethyl)propanamide has a molecular weight of 489.70 g/mol, XLogP of 6.32, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-3-[cyclohexyl(cyclohexylcarbamoyl)amino]-N-(2-phenylethyl)propanamide is sourced from PubChem (CID 42699430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).