1-(3-acetylphenyl)-3-(2,2-dimethylpropanoylamino)urea

C14H19N3O3 — CID 60609638

IUPAC1-(3-acetylphenyl)-3-(2,2-dimethylpropanoylamino)urea
SMILESCC(=O)c1cccc(NC(=O)NNC(=O)C(C)(C)C)c1
InChIInChI=1S/C14H19N3O3/c1-9(18)10-6-5-7-11(8-10)15-13(20)17-16-12(19)14(2,3)4/h5-8H,1-4H3,(H,16,19)(H2,15,17,20)
InChIKeyYODIUJGUUCOEBZ-UHFFFAOYSA-N
MW277.32 g/mol
LogP2.09
Rot. Bonds2

About 1-(3-acetylphenyl)-3-(2,2-dimethylpropanoylamino)urea

1-(3-acetylphenyl)-3-(2,2-dimethylpropanoylamino)urea (PubChem CID 60609638) has the molecular formula C14H19N3O3 and a molecular weight of 277.32 g/mol. Its IUPAC name is 1-(3-acetylphenyl)-3-(2,2-dimethylpropanoylamino)urea.

Molecular Properties

Compound Name1-(3-acetylphenyl)-3-(2,2-dimethylpropanoylamino)urea
PubChem CID60609638
Molecular FormulaC14H19N3O3
Molecular Weight277.32 g/mol
Exact Mass277.14
IUPAC Name1-(3-acetylphenyl)-3-(2,2-dimethylpropanoylamino)urea
SMILESCC(=O)c1cccc(NC(=O)NNC(=O)C(C)(C)C)c1
InChIInChI=1S/C14H19N3O3/c1-9(18)10-6-5-7-11(8-10)15-13(20)17-16-12(19)14(2,3)4/h5-8H,1-4H3,(H,16,19)(H2,15,17,20)
InChIKeyYODIUJGUUCOEBZ-UHFFFAOYSA-N
XLogP2.09
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.32
LogP ≤ 52.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(3-acetylphenyl)-3,5-bis(2,2-dimethylpropanoylamino)benzamide
CID 17171661
N-(3-acetylphenyl)-N'-(4-acetylphenyl)-2,2-dimethylpropanediamide
CID 108969722
1-(3-acetylphenyl)-3-[(2-fluorobenzoyl)amino]urea
CID 971459
N-[6-(3-acetylanilino)pyridazin-3-yl]-2,2-dimethylpropanamide
CID 113049047
N-(3-acetylphenyl)-3-amino-2,2-dimethylpropanamide
CID 81484636
2-[(3-acetylphenyl)carbamoylamino]-3,3-dimethylbutanoic acid
CID 61339526
N-(3-acetylphenyl)-4-tert-butylbenzamide
CID 722882
1-(3-acetylphenyl)-3-(1,3-dihydroxypropan-2-yl)urea
CID 65312663
1-(3-acetylphenyl)-3-cyclopropylurea
CID 47032116
3-(2,2-dimethylpropanoylamino)-N-(4-hydroxyphenyl)benzamide
CID 789614
1-(3-acetylphenyl)-3-(5-bromo-2-fluorophenyl)urea
CID 61345864
1-(3-acetylphenyl)-3-(2,4,6-trimethylphenyl)urea
CID 108991665

Frequently Asked Questions

What is the IUPAC name of 1-(3-acetylphenyl)-3-(2,2-dimethylpropanoylamino)urea?
The IUPAC name of 1-(3-acetylphenyl)-3-(2,2-dimethylpropanoylamino)urea (CID 60609638) is 1-(3-acetylphenyl)-3-(2,2-dimethylpropanoylamino)urea.
What is the SMILES notation for 1-(3-acetylphenyl)-3-(2,2-dimethylpropanoylamino)urea?
The canonical SMILES for 1-(3-acetylphenyl)-3-(2,2-dimethylpropanoylamino)urea is CC(=O)c1cccc(NC(=O)NNC(=O)C(C)(C)C)c1.
What is the InChIKey of 1-(3-acetylphenyl)-3-(2,2-dimethylpropanoylamino)urea?
The InChIKey is YODIUJGUUCOEBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O3/c1-9(18)10-6-5-7-11(8-10)15-13(20)17-16-12(19)14(2,3)4/h5-8H,1-4H3,(H,16,19)(H2,15,17,20).
What are the key properties of 1-(3-acetylphenyl)-3-(2,2-dimethylpropanoylamino)urea?
1-(3-acetylphenyl)-3-(2,2-dimethylpropanoylamino)urea has a molecular weight of 277.32 g/mol, XLogP of 2.09, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-acetylphenyl)-3-(2,2-dimethylpropanoylamino)urea is sourced from PubChem (CID 60609638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).