2-[(4-aminophenyl)carbamoylamino]-N,N-dimethylpropanamide

C12H18N4O2 — CID 54955307

IUPAC2-[(4-aminophenyl)carbamoylamino]-N,N-dimethylpropanamide
SMILESCC(NC(=O)Nc1ccc(N)cc1)C(=O)N(C)C
InChIInChI=1S/C12H18N4O2/c1-8(11(17)16(2)3)14-12(18)15-10-6-4-9(13)5-7-10/h4-8H,13H2,1-3H3,(H2,14,15,18)
InChIKeyFPRWWASGJZHIAH-UHFFFAOYSA-N
MW250.30 g/mol
LogP0.87
Rot. Bonds3

About 2-[(4-aminophenyl)carbamoylamino]-N,N-dimethylpropanamide

2-[(4-aminophenyl)carbamoylamino]-N,N-dimethylpropanamide (PubChem CID 54955307) has the molecular formula C12H18N4O2 and a molecular weight of 250.30 g/mol. Its IUPAC name is 2-[(4-aminophenyl)carbamoylamino]-N,N-dimethylpropanamide.

Molecular Properties

Compound Name2-[(4-aminophenyl)carbamoylamino]-N,N-dimethylpropanamide
PubChem CID54955307
Molecular FormulaC12H18N4O2
Molecular Weight250.30 g/mol
Exact Mass250.14
IUPAC Name2-[(4-aminophenyl)carbamoylamino]-N,N-dimethylpropanamide
SMILESCC(NC(=O)Nc1ccc(N)cc1)C(=O)N(C)C
InChIInChI=1S/C12H18N4O2/c1-8(11(17)16(2)3)14-12(18)15-10-6-4-9(13)5-7-10/h4-8H,13H2,1-3H3,(H2,14,15,18)
InChIKeyFPRWWASGJZHIAH-UHFFFAOYSA-N
XLogP0.87
TPSA87.46 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 50.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-[(4-aminophenyl)carbamoylamino]propanamide
CID 43545745
1-(4-aminophenyl)-3-(1-methylsulfinylpropan-2-yl)urea
CID 113486517
1-(4-aminophenyl)-3-(3-ethylpentan-2-yl)urea
CID 63836426
3-(4-aminophenyl)-1-methyl-1-propan-2-ylurea
CID 43469006
(2S)-2-[[4-(dimethylamino)phenyl]carbamoylamino]propanoic acid
CID 78967872
(2R)-N,N-dimethyl-2-(methylcarbamoylamino)propanamide
CID 59006567
2-[[1-(dimethylamino)-1-oxopropan-2-yl]carbamoylamino]benzoic acid
CID 61465784
propan-2-yl (2R)-2-[(4-propan-2-ylphenyl)carbamoylamino]propanoate
CID 75393700
methyl 2-[(4-carbamoylphenyl)carbamoylamino]propanoate
CID 70407448
(2S)-2-[[5-chloro-2-(dimethylamino)phenyl]carbamoylamino]-N,N-dimethylpropanamide
CID 99835829
5-amino-N-[1-(dimethylamino)-1-oxopropan-2-yl]-2-methoxybenzamide
CID 61094470
N-(4-aminophenyl)-2-bromopropanamide
CID 57300084

Frequently Asked Questions

What is the IUPAC name of 2-[(4-aminophenyl)carbamoylamino]-N,N-dimethylpropanamide?
The IUPAC name of 2-[(4-aminophenyl)carbamoylamino]-N,N-dimethylpropanamide (CID 54955307) is 2-[(4-aminophenyl)carbamoylamino]-N,N-dimethylpropanamide.
What is the SMILES notation for 2-[(4-aminophenyl)carbamoylamino]-N,N-dimethylpropanamide?
The canonical SMILES for 2-[(4-aminophenyl)carbamoylamino]-N,N-dimethylpropanamide is CC(NC(=O)Nc1ccc(N)cc1)C(=O)N(C)C.
What is the InChIKey of 2-[(4-aminophenyl)carbamoylamino]-N,N-dimethylpropanamide?
The InChIKey is FPRWWASGJZHIAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O2/c1-8(11(17)16(2)3)14-12(18)15-10-6-4-9(13)5-7-10/h4-8H,13H2,1-3H3,(H2,14,15,18).
What are the key properties of 2-[(4-aminophenyl)carbamoylamino]-N,N-dimethylpropanamide?
2-[(4-aminophenyl)carbamoylamino]-N,N-dimethylpropanamide has a molecular weight of 250.30 g/mol, XLogP of 0.87, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-aminophenyl)carbamoylamino]-N,N-dimethylpropanamide is sourced from PubChem (CID 54955307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).