3-[(3-acetylphenyl)carbamoylamino]-N-propan-2-ylpropanamide

C15H21N3O3 — CID 115581776

IUPAC3-[(3-acetylphenyl)carbamoylamino]-N-propan-2-ylpropanamide
SMILESCC(=O)c1cccc(NC(=O)NCCC(=O)NC(C)C)c1
InChIInChI=1S/C15H21N3O3/c1-10(2)17-14(20)7-8-16-15(21)18-13-6-4-5-12(9-13)11(3)19/h4-6,9-10H,7-8H2,1-3H3,(H,17,20)(H2,16,18,21)
InChIKeyHKMQKIXZOXPFME-UHFFFAOYSA-N
MW291.35 g/mol
LogP1.93
Rot. Bonds6

About 3-[(3-acetylphenyl)carbamoylamino]-N-propan-2-ylpropanamide

3-[(3-acetylphenyl)carbamoylamino]-N-propan-2-ylpropanamide (PubChem CID 115581776) has the molecular formula C15H21N3O3 and a molecular weight of 291.35 g/mol. Its IUPAC name is 3-[(3-acetylphenyl)carbamoylamino]-N-propan-2-ylpropanamide.

Molecular Properties

Compound Name3-[(3-acetylphenyl)carbamoylamino]-N-propan-2-ylpropanamide
PubChem CID115581776
Molecular FormulaC15H21N3O3
Molecular Weight291.35 g/mol
Exact Mass291.16
IUPAC Name3-[(3-acetylphenyl)carbamoylamino]-N-propan-2-ylpropanamide
SMILESCC(=O)c1cccc(NC(=O)NCCC(=O)NC(C)C)c1
InChIInChI=1S/C15H21N3O3/c1-10(2)17-14(20)7-8-16-15(21)18-13-6-4-5-12(9-13)11(3)19/h4-6,9-10H,7-8H2,1-3H3,(H,17,20)(H2,16,18,21)
InChIKeyHKMQKIXZOXPFME-UHFFFAOYSA-N
XLogP1.93
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 51.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(3-acetylphenyl)carbamoylamino]-N-propylpropanamide
CID 61066520
N-(3-acetylphenyl)-2-[methyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]acetamide
CID 9048960
1-(3-acetylphenyl)-3-[(2R)-3-hydroxy-2-methylpropyl]urea
CID 94819199
1-(3-acetylphenyl)-3-(5-hydroxypentyl)urea
CID 107302725
1-(3-acetylphenyl)-3-(1-hydroxypropan-2-yl)urea
CID 47032107
1-(3-acetylphenyl)-3-(1,3-dihydroxypropan-2-yl)urea
CID 65312663
N-(3-acetylphenyl)-2-(phenylcarbamoylamino)acetamide
CID 18160954
N-(3-acetylphenyl)propanamide
CID 903063
1-(3-acetylphenyl)-3-(3-hydroxy-4-methoxybutyl)urea
CID 103876096
3-[[3-oxo-3-(propan-2-ylamino)propyl]carbamoyl]benzoic acid
CID 115596261
1-(3-acetylphenyl)-3-(2-ethoxypropyl)urea
CID 115662968
1-(3-acetylphenyl)-3-[2-(3-propan-2-ylphenoxy)ethyl]urea
CID 112972467

Frequently Asked Questions

What is the IUPAC name of 3-[(3-acetylphenyl)carbamoylamino]-N-propan-2-ylpropanamide?
The IUPAC name of 3-[(3-acetylphenyl)carbamoylamino]-N-propan-2-ylpropanamide (CID 115581776) is 3-[(3-acetylphenyl)carbamoylamino]-N-propan-2-ylpropanamide.
What is the SMILES notation for 3-[(3-acetylphenyl)carbamoylamino]-N-propan-2-ylpropanamide?
The canonical SMILES for 3-[(3-acetylphenyl)carbamoylamino]-N-propan-2-ylpropanamide is CC(=O)c1cccc(NC(=O)NCCC(=O)NC(C)C)c1.
What is the InChIKey of 3-[(3-acetylphenyl)carbamoylamino]-N-propan-2-ylpropanamide?
The InChIKey is HKMQKIXZOXPFME-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O3/c1-10(2)17-14(20)7-8-16-15(21)18-13-6-4-5-12(9-13)11(3)19/h4-6,9-10H,7-8H2,1-3H3,(H,17,20)(H2,16,18,21).
What are the key properties of 3-[(3-acetylphenyl)carbamoylamino]-N-propan-2-ylpropanamide?
3-[(3-acetylphenyl)carbamoylamino]-N-propan-2-ylpropanamide has a molecular weight of 291.35 g/mol, XLogP of 1.93, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-acetylphenyl)carbamoylamino]-N-propan-2-ylpropanamide is sourced from PubChem (CID 115581776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).