2-[(4-aminophenyl)carbamoylamino]propanamide

C10H14N4O2 — CID 43545745

IUPAC2-[(4-aminophenyl)carbamoylamino]propanamide
SMILESCC(NC(=O)Nc1ccc(N)cc1)C(N)=O
InChIInChI=1S/C10H14N4O2/c1-6(9(12)15)13-10(16)14-8-4-2-7(11)3-5-8/h2-6H,11H2,1H3,(H2,12,15)(H2,13,14,16)
InChIKeyRMIRBYHTDUOXMP-UHFFFAOYSA-N
MW222.25 g/mol
LogP0.26
Rot. Bonds3

About 2-[(4-aminophenyl)carbamoylamino]propanamide

2-[(4-aminophenyl)carbamoylamino]propanamide (PubChem CID 43545745) has the molecular formula C10H14N4O2 and a molecular weight of 222.25 g/mol. Its IUPAC name is 2-[(4-aminophenyl)carbamoylamino]propanamide.

Molecular Properties

Compound Name2-[(4-aminophenyl)carbamoylamino]propanamide
PubChem CID43545745
Molecular FormulaC10H14N4O2
Molecular Weight222.25 g/mol
Exact Mass222.11
IUPAC Name2-[(4-aminophenyl)carbamoylamino]propanamide
SMILESCC(NC(=O)Nc1ccc(N)cc1)C(N)=O
InChIInChI=1S/C10H14N4O2/c1-6(9(12)15)13-10(16)14-8-4-2-7(11)3-5-8/h2-6H,11H2,1H3,(H2,12,15)(H2,13,14,16)
InChIKeyRMIRBYHTDUOXMP-UHFFFAOYSA-N
XLogP0.26
TPSA110.24 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.25
LogP ≤ 50.26
H-Bond Donors ≤ 54
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]-N,N-dimethylpropanamide
CID 54955307
2-[4-[(1-amino-1-oxopropan-2-yl)carbamoylamino]phenyl]-2-methylpropanoic acid
CID 80548980
1-(4-aminophenyl)-3-(3-ethylpentan-2-yl)urea
CID 63836426
methyl 2-[(4-carbamoylphenyl)carbamoylamino]propanoate
CID 70407448
4-[(1-amino-1-oxopropan-2-yl)carbamoylamino]-2-fluorobenzoic acid
CID 107795962
1-(4-aminophenyl)-3-(1-methylsulfinylpropan-2-yl)urea
CID 113486517
2-[(1-methyl-2,3-dihydroindol-6-yl)carbamoylamino]propanamide
CID 175745823
N-(1-amino-1-oxopropan-2-yl)-3-methyl-2-(phenylcarbamoylamino)butanamide
CID 134045604
(2S)-N-(1-amino-1-oxopropan-2-yl)-2-[(4-bromophenyl)carbamoylamino]-4-methylpentanamide
CID 71525916
4-[(1-amino-1-oxopropan-2-yl)carbamoylamino]-2-methoxybenzoic acid
CID 107209399
propan-2-yl (2R)-2-[(4-propan-2-ylphenyl)carbamoylamino]propanoate
CID 75393700
4-(propan-2-ylcarbamoylamino)benzamide
CID 47027880

Frequently Asked Questions

What is the IUPAC name of 2-[(4-aminophenyl)carbamoylamino]propanamide?
The IUPAC name of 2-[(4-aminophenyl)carbamoylamino]propanamide (CID 43545745) is 2-[(4-aminophenyl)carbamoylamino]propanamide.
What is the SMILES notation for 2-[(4-aminophenyl)carbamoylamino]propanamide?
The canonical SMILES for 2-[(4-aminophenyl)carbamoylamino]propanamide is CC(NC(=O)Nc1ccc(N)cc1)C(N)=O.
What is the InChIKey of 2-[(4-aminophenyl)carbamoylamino]propanamide?
The InChIKey is RMIRBYHTDUOXMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N4O2/c1-6(9(12)15)13-10(16)14-8-4-2-7(11)3-5-8/h2-6H,11H2,1H3,(H2,12,15)(H2,13,14,16).
What are the key properties of 2-[(4-aminophenyl)carbamoylamino]propanamide?
2-[(4-aminophenyl)carbamoylamino]propanamide has a molecular weight of 222.25 g/mol, XLogP of 0.26, 3 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-aminophenyl)carbamoylamino]propanamide is sourced from PubChem (CID 43545745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).