2-(carbamoylamino)-N-[2-(4-chlorophenyl)ethyl]-4-methylpentanamide

C15H22ClN3O2 — CID 5181894

IUPAC2-(carbamoylamino)-N-[2-(4-chlorophenyl)ethyl]-4-methylpentanamide
SMILESCC(C)CC(NC(N)=O)C(=O)NCCc1ccc(Cl)cc1
InChIInChI=1S/C15H22ClN3O2/c1-10(2)9-13(19-15(17)21)14(20)18-8-7-11-3-5-12(16)6-4-11/h3-6,10,13H,7-9H2,1-2H3,(H,18,20)(H3,17,19,21)
InChIKeySDGZURWWSWFMPL-UHFFFAOYSA-N
MW311.81 g/mol
LogP2.08
Rot. Bonds7

About 2-(carbamoylamino)-N-[2-(4-chlorophenyl)ethyl]-4-methylpentanamide

2-(carbamoylamino)-N-[2-(4-chlorophenyl)ethyl]-4-methylpentanamide (PubChem CID 5181894) has the molecular formula C15H22ClN3O2 and a molecular weight of 311.81 g/mol. Its IUPAC name is 2-(carbamoylamino)-N-[2-(4-chlorophenyl)ethyl]-4-methylpentanamide.

Molecular Properties

Compound Name2-(carbamoylamino)-N-[2-(4-chlorophenyl)ethyl]-4-methylpentanamide
PubChem CID5181894
Molecular FormulaC15H22ClN3O2
Molecular Weight311.81 g/mol
Exact Mass311.14
IUPAC Name2-(carbamoylamino)-N-[2-(4-chlorophenyl)ethyl]-4-methylpentanamide
SMILESCC(C)CC(NC(N)=O)C(=O)NCCc1ccc(Cl)cc1
InChIInChI=1S/C15H22ClN3O2/c1-10(2)9-13(19-15(17)21)14(20)18-8-7-11-3-5-12(16)6-4-11/h3-6,10,13H,7-9H2,1-2H3,(H,18,20)(H3,17,19,21)
InChIKeySDGZURWWSWFMPL-UHFFFAOYSA-N
XLogP2.08
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.81
LogP ≤ 52.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

Leucyl-phenylalanine amide
CID 3082491
2,4-Imidazolidinedione, 5-(p-chlorophenyl)-
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CID 2290457
Dipeptidyl nitrile inhibitor, 6
CID 44224116
(2S)-2-[(2-chlorophenyl)methylcarbamoylamino]-4-methyl-N-oxidanyl-pentanamide
CID 71584672
(2S)-2-[(3-chlorophenyl)methylcarbamoylamino]-4-methyl-N-oxidanyl-pentanamide
CID 71584675
(2S,3S)-3-(4-chlorophenyl)-1-[(3S)-3-fluoropyrrolidin-1-yl]-1-oxobutan-2-aminium; 2,2,2-trifluoroacetate
CID 91895803
(2R)-N-(azepan-4-yl)-3-(4-chlorophenyl)-2-[[2-(4-chlorophenyl)acetyl]amino]propanamide
CID 56663268
(2R)-3-(4-chlorophenyl)-2-[[2-(4-chlorophenyl)acetyl]amino]-N-[4-(dimethylamino)cyclohexyl]propanamide
CID 56680283
Ac-Val-Arg-D-Phe(4-Cl)-Cha-NH2
CID 155556466
2-(4-chlorophenyl)-N-cycloheptylacetamide
CID 875700
2-[2-[2-(4-chlorophenyl)acetyl]hydrazinyl]-N-cyclohexyl-2-oxoacetamide
CID 2084155

Frequently Asked Questions

What is the IUPAC name of 2-(carbamoylamino)-N-[2-(4-chlorophenyl)ethyl]-4-methylpentanamide?
The IUPAC name of 2-(carbamoylamino)-N-[2-(4-chlorophenyl)ethyl]-4-methylpentanamide (CID 5181894) is 2-(carbamoylamino)-N-[2-(4-chlorophenyl)ethyl]-4-methylpentanamide.
What is the SMILES notation for 2-(carbamoylamino)-N-[2-(4-chlorophenyl)ethyl]-4-methylpentanamide?
The canonical SMILES for 2-(carbamoylamino)-N-[2-(4-chlorophenyl)ethyl]-4-methylpentanamide is CC(C)CC(NC(N)=O)C(=O)NCCc1ccc(Cl)cc1.
What is the InChIKey of 2-(carbamoylamino)-N-[2-(4-chlorophenyl)ethyl]-4-methylpentanamide?
The InChIKey is SDGZURWWSWFMPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22ClN3O2/c1-10(2)9-13(19-15(17)21)14(20)18-8-7-11-3-5-12(16)6-4-11/h3-6,10,13H,7-9H2,1-2H3,(H,18,20)(H3,17,19,21).
What are the key properties of 2-(carbamoylamino)-N-[2-(4-chlorophenyl)ethyl]-4-methylpentanamide?
2-(carbamoylamino)-N-[2-(4-chlorophenyl)ethyl]-4-methylpentanamide has a molecular weight of 311.81 g/mol, XLogP of 2.08, 7 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(carbamoylamino)-N-[2-(4-chlorophenyl)ethyl]-4-methylpentanamide is sourced from PubChem (CID 5181894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).