2-[(3-aminophenyl)carbamoylamino]-N-propylacetamide

C12H18N4O2 — CID 43567574

IUPAC2-[(3-aminophenyl)carbamoylamino]-N-propylacetamide
SMILESCCCNC(=O)CNC(=O)Nc1cccc(N)c1
InChIInChI=1S/C12H18N4O2/c1-2-6-14-11(17)8-15-12(18)16-10-5-3-4-9(13)7-10/h3-5,7H,2,6,8,13H2,1H3,(H,14,17)(H2,15,16,18)
InChIKeyLKMKGYOOAIVHSU-UHFFFAOYSA-N
MW250.30 g/mol
LogP0.92
Rot. Bonds5

About 2-[(3-aminophenyl)carbamoylamino]-N-propylacetamide

2-[(3-aminophenyl)carbamoylamino]-N-propylacetamide (PubChem CID 43567574) has the molecular formula C12H18N4O2 and a molecular weight of 250.30 g/mol. Its IUPAC name is 2-[(3-aminophenyl)carbamoylamino]-N-propylacetamide.

Molecular Properties

Compound Name2-[(3-aminophenyl)carbamoylamino]-N-propylacetamide
PubChem CID43567574
Molecular FormulaC12H18N4O2
Molecular Weight250.30 g/mol
Exact Mass250.14
IUPAC Name2-[(3-aminophenyl)carbamoylamino]-N-propylacetamide
SMILESCCCNC(=O)CNC(=O)Nc1cccc(N)c1
InChIInChI=1S/C12H18N4O2/c1-2-6-14-11(17)8-15-12(18)16-10-5-3-4-9(13)7-10/h3-5,7H,2,6,8,13H2,1H3,(H,14,17)(H2,15,16,18)
InChIKeyLKMKGYOOAIVHSU-UHFFFAOYSA-N
XLogP0.92
TPSA96.25 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 50.92
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

3-[(3-aminophenyl)carbamoylamino]-N-ethylpropanamide
CID 113410713
2-methyl-5-[[2-oxo-2-(propylamino)ethyl]carbamoylamino]benzoic acid
CID 63653190
3-[(3-aminophenyl)carbamoylamino]propanamide
CID 43553830
N-(3-aminophenyl)-2-butylsulfanylacetamide
CID 43615706
2-(3-aminophenyl)-N-propylacetamide
CID 28689659
2-[[4-(1-aminoethyl)phenyl]carbamoylamino]-N-propylacetamide
CID 61340044
3-[(3-acetylphenyl)carbamoylamino]-N-propylpropanamide
CID 61066520
2-(3-aminoanilino)-N-ethylacetamide
CID 43566786
3-(3-aminophenoxy)-N-[2-oxo-2-(propylamino)ethyl]propanamide
CID 61093079
1-[3-(1-aminoethyl)phenyl]-3-propylurea
CID 43210542
4-(3-aminophenyl)-4-oxo-N-propylbutanamide
CID 94262243
3-(3-aminophenyl)-N-propylpropanamide
CID 28713263

Frequently Asked Questions

What is the IUPAC name of 2-[(3-aminophenyl)carbamoylamino]-N-propylacetamide?
The IUPAC name of 2-[(3-aminophenyl)carbamoylamino]-N-propylacetamide (CID 43567574) is 2-[(3-aminophenyl)carbamoylamino]-N-propylacetamide.
What is the SMILES notation for 2-[(3-aminophenyl)carbamoylamino]-N-propylacetamide?
The canonical SMILES for 2-[(3-aminophenyl)carbamoylamino]-N-propylacetamide is CCCNC(=O)CNC(=O)Nc1cccc(N)c1.
What is the InChIKey of 2-[(3-aminophenyl)carbamoylamino]-N-propylacetamide?
The InChIKey is LKMKGYOOAIVHSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O2/c1-2-6-14-11(17)8-15-12(18)16-10-5-3-4-9(13)7-10/h3-5,7H,2,6,8,13H2,1H3,(H,14,17)(H2,15,16,18).
What are the key properties of 2-[(3-aminophenyl)carbamoylamino]-N-propylacetamide?
2-[(3-aminophenyl)carbamoylamino]-N-propylacetamide has a molecular weight of 250.30 g/mol, XLogP of 0.92, 5 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-aminophenyl)carbamoylamino]-N-propylacetamide is sourced from PubChem (CID 43567574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).