2-[(3-chlorophenyl)carbamoylamino]-N,N-dipentylpentanamide

C22H36ClN3O2 — CID 57239303

IUPAC2-[(3-chlorophenyl)carbamoylamino]-N,N-dipentylpentanamide
SMILESCCCCCN(CCCCC)C(=O)C(CCC)NC(=O)Nc1cccc(Cl)c1
InChIInChI=1S/C22H36ClN3O2/c1-4-7-9-15-26(16-10-8-5-2)21(27)20(12-6-3)25-22(28)24-19-14-11-13-18(23)17-19/h11,13-14,17,20H,4-10,12,15-16H2,1-3H3,(H2,24,25,28)
InChIKeyHZDKKZZMKDIRKQ-UHFFFAOYSA-N
MW410.00 g/mol
LogP5.84
Rot. Bonds13

About 2-[(3-chlorophenyl)carbamoylamino]-N,N-dipentylpentanamide

2-[(3-chlorophenyl)carbamoylamino]-N,N-dipentylpentanamide (PubChem CID 57239303) has the molecular formula C22H36ClN3O2 and a molecular weight of 410.00 g/mol. Its IUPAC name is 2-[(3-chlorophenyl)carbamoylamino]-N,N-dipentylpentanamide.

Molecular Properties

Compound Name2-[(3-chlorophenyl)carbamoylamino]-N,N-dipentylpentanamide
PubChem CID57239303
Molecular FormulaC22H36ClN3O2
Molecular Weight410.00 g/mol
Exact Mass409.25
IUPAC Name2-[(3-chlorophenyl)carbamoylamino]-N,N-dipentylpentanamide
SMILESCCCCCN(CCCCC)C(=O)C(CCC)NC(=O)Nc1cccc(Cl)c1
InChIInChI=1S/C22H36ClN3O2/c1-4-7-9-15-26(16-10-8-5-2)21(27)20(12-6-3)25-22(28)24-19-14-11-13-18(23)17-19/h11,13-14,17,20H,4-10,12,15-16H2,1-3H3,(H2,24,25,28)
InChIKeyHZDKKZZMKDIRKQ-UHFFFAOYSA-N
XLogP5.84
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds13
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500410.00
LogP ≤ 55.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[(3-chlorophenyl)carbamoylamino]pentanoic acid
CID 43631122
(4S)-4-[(4-chlorophenyl)carbamoylamino]-5-(dipentylamino)-5-oxopentanoic acid
CID 67898893
1-(3-chlorophenyl)-3-undecylurea
CID 4294975
5-(dipentylamino)-2-ethoxy-4-[(3-methoxyphenyl)carbamoylamino]-5-oxopentanoic acid
CID 70441983
1-[(2R)-butan-2-yl]-3-(3-chlorophenyl)urea
CID 1376673
1,1-dibutyl-3-(3-chlorophenyl)thiourea
CID 3807195
2-[(3-chlorophenyl)carbamoylamino]-4-ethylsulfanylbutanoic acid
CID 108783530
diethyl 2-[(3-chlorophenyl)carbamoylamino]propanedioate
CID 110495007
(2S)-2-[(3-acetamidophenyl)carbamoylamino]pentanoic acid
CID 107566022
N-benzyl-2-[(3-chlorophenyl)carbamoylamino]-3-phenyl-N-(2-phenylethyl)propanamide
CID 10229409
1-(3-chlorophenyl)-3-(heptanoylamino)urea
CID 5162671
2-[N-[(3-chlorophenyl)carbamoyl]anilino]-N,N-dipentylacetamide
CID 18966478

Frequently Asked Questions

What is the IUPAC name of 2-[(3-chlorophenyl)carbamoylamino]-N,N-dipentylpentanamide?
The IUPAC name of 2-[(3-chlorophenyl)carbamoylamino]-N,N-dipentylpentanamide (CID 57239303) is 2-[(3-chlorophenyl)carbamoylamino]-N,N-dipentylpentanamide.
What is the SMILES notation for 2-[(3-chlorophenyl)carbamoylamino]-N,N-dipentylpentanamide?
The canonical SMILES for 2-[(3-chlorophenyl)carbamoylamino]-N,N-dipentylpentanamide is CCCCCN(CCCCC)C(=O)C(CCC)NC(=O)Nc1cccc(Cl)c1.
What is the InChIKey of 2-[(3-chlorophenyl)carbamoylamino]-N,N-dipentylpentanamide?
The InChIKey is HZDKKZZMKDIRKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H36ClN3O2/c1-4-7-9-15-26(16-10-8-5-2)21(27)20(12-6-3)25-22(28)24-19-14-11-13-18(23)17-19/h11,13-14,17,20H,4-10,12,15-16H2,1-3H3,(H2,24,25,28).
What are the key properties of 2-[(3-chlorophenyl)carbamoylamino]-N,N-dipentylpentanamide?
2-[(3-chlorophenyl)carbamoylamino]-N,N-dipentylpentanamide has a molecular weight of 410.00 g/mol, XLogP of 5.84, 13 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-chlorophenyl)carbamoylamino]-N,N-dipentylpentanamide is sourced from PubChem (CID 57239303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).