4-[phenylcarbamoyl(6-phenylhexyl)amino]butanamide

C23H31N3O2 — CID 11361035

IUPAC4-[phenylcarbamoyl(6-phenylhexyl)amino]butanamide
SMILESNC(=O)CCCN(CCCCCCc1ccccc1)C(=O)Nc1ccccc1
InChIInChI=1S/C23H31N3O2/c24-22(27)17-11-19-26(23(28)25-21-15-8-4-9-16-21)18-10-2-1-5-12-20-13-6-3-7-14-20/h3-4,6-9,13-16H,1-2,5,10-12,17-19H2,(H2,24,27)(H,25,28)
InChIKeyXZNVGGUEWAQZAP-UHFFFAOYSA-N
MW381.52 g/mol
LogP4.59
Rot. Bonds12

About 4-[phenylcarbamoyl(6-phenylhexyl)amino]butanamide

4-[phenylcarbamoyl(6-phenylhexyl)amino]butanamide (PubChem CID 11361035) has the molecular formula C23H31N3O2 and a molecular weight of 381.52 g/mol. Its IUPAC name is 4-[phenylcarbamoyl(6-phenylhexyl)amino]butanamide.

Molecular Properties

Compound Name4-[phenylcarbamoyl(6-phenylhexyl)amino]butanamide
PubChem CID11361035
Molecular FormulaC23H31N3O2
Molecular Weight381.52 g/mol
Exact Mass381.24
IUPAC Name4-[phenylcarbamoyl(6-phenylhexyl)amino]butanamide
SMILESNC(=O)CCCN(CCCCCCc1ccccc1)C(=O)Nc1ccccc1
InChIInChI=1S/C23H31N3O2/c24-22(27)17-11-19-26(23(28)25-21-15-8-4-9-16-21)18-10-2-1-5-12-20-13-6-3-7-14-20/h3-4,6-9,13-16H,1-2,5,10-12,17-19H2,(H2,24,27)(H,25,28)
InChIKeyXZNVGGUEWAQZAP-UHFFFAOYSA-N
XLogP4.59
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.52
LogP ≤ 54.59
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

1-(2-hydroxyethyl)-3-phenyl-1-undecylurea
CID 70451899
1-ethyl-1-hexyl-3-phenylurea
CID 168918798
N-(4-carbamothioylphenyl)-4-phenylbutanamide
CID 28939713
3-[benzyl-[(3-methylphenyl)carbamoyl]amino]propanamide
CID 10495245
1-nonadec-18-enyl-1-octadecyl-3-phenylurea
CID 174569581
1-amino-1-(4-phenylbutyl)urea
CID 170908979
18-[4-(18-amino-18-oxooctadecyl)phenyl]octadecanamide
CID 66765992
1-[2-(dimethylamino)ethyl]-3-(3-fluorophenyl)-1-(3-phenylpropyl)urea
CID 47081834
N',N'-bis(2-phenylethyl)butanediamide
CID 70184693
1-benzyl-3-phenyl-1-propylurea
CID 78786424
7-[5-(3-phenylpropyl)thiophen-2-yl]heptanamide
CID 15667483
carbonic acid;3-phenylpropanamide
CID 174965682

Frequently Asked Questions

What is the IUPAC name of 4-[phenylcarbamoyl(6-phenylhexyl)amino]butanamide?
The IUPAC name of 4-[phenylcarbamoyl(6-phenylhexyl)amino]butanamide (CID 11361035) is 4-[phenylcarbamoyl(6-phenylhexyl)amino]butanamide.
What is the SMILES notation for 4-[phenylcarbamoyl(6-phenylhexyl)amino]butanamide?
The canonical SMILES for 4-[phenylcarbamoyl(6-phenylhexyl)amino]butanamide is NC(=O)CCCN(CCCCCCc1ccccc1)C(=O)Nc1ccccc1.
What is the InChIKey of 4-[phenylcarbamoyl(6-phenylhexyl)amino]butanamide?
The InChIKey is XZNVGGUEWAQZAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31N3O2/c24-22(27)17-11-19-26(23(28)25-21-15-8-4-9-16-21)18-10-2-1-5-12-20-13-6-3-7-14-20/h3-4,6-9,13-16H,1-2,5,10-12,17-19H2,(H2,24,27)(H,25,28).
What are the key properties of 4-[phenylcarbamoyl(6-phenylhexyl)amino]butanamide?
4-[phenylcarbamoyl(6-phenylhexyl)amino]butanamide has a molecular weight of 381.52 g/mol, XLogP of 4.59, 12 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[phenylcarbamoyl(6-phenylhexyl)amino]butanamide is sourced from PubChem (CID 11361035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).