3-[(3-aminophenyl)carbamoylamino]-N-ethylpropanamide

C12H18N4O2 — CID 113410713

IUPAC3-[(3-aminophenyl)carbamoylamino]-N-ethylpropanamide
SMILESCCNC(=O)CCNC(=O)Nc1cccc(N)c1
InChIInChI=1S/C12H18N4O2/c1-2-14-11(17)6-7-15-12(18)16-10-5-3-4-9(13)8-10/h3-5,8H,2,6-7,13H2,1H3,(H,14,17)(H2,15,16,18)
InChIKeyQJJZHLRPPINULP-UHFFFAOYSA-N
MW250.30 g/mol
LogP0.92
Rot. Bonds5

About 3-[(3-aminophenyl)carbamoylamino]-N-ethylpropanamide

3-[(3-aminophenyl)carbamoylamino]-N-ethylpropanamide (PubChem CID 113410713) has the molecular formula C12H18N4O2 and a molecular weight of 250.30 g/mol. Its IUPAC name is 3-[(3-aminophenyl)carbamoylamino]-N-ethylpropanamide.

Molecular Properties

Compound Name3-[(3-aminophenyl)carbamoylamino]-N-ethylpropanamide
PubChem CID113410713
Molecular FormulaC12H18N4O2
Molecular Weight250.30 g/mol
Exact Mass250.14
IUPAC Name3-[(3-aminophenyl)carbamoylamino]-N-ethylpropanamide
SMILESCCNC(=O)CCNC(=O)Nc1cccc(N)c1
InChIInChI=1S/C12H18N4O2/c1-2-14-11(17)6-7-15-12(18)16-10-5-3-4-9(13)8-10/h3-5,8H,2,6-7,13H2,1H3,(H,14,17)(H2,15,16,18)
InChIKeyQJJZHLRPPINULP-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]propanamide
CID 43553830
2-[(3-aminophenyl)carbamoylamino]-N-propylacetamide
CID 43567574
2-(3-aminoanilino)-N-ethylacetamide
CID 43566786
3-[(3-acetylphenyl)carbamoylamino]-N-propylpropanamide
CID 61066520
1-(3-aminophenyl)-3-ethylthiourea
CID 122416783
1-(3-aminophenyl)-3-(2-ethylphenyl)urea
CID 30050716
1-(3-aminophenyl)-3-[(3-methylphenyl)methyl]urea
CID 54944882
N-[(3-aminophenyl)carbamoyl]acetamide
CID 86767324
1-(3-aminophenyl)-3-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]urea
CID 106419435
1-(3-hydroxyphenyl)-3-(3-oxobutyl)urea
CID 108894947
N-(3-aminophenyl)-2-butylsulfanylacetamide
CID 43615706
3-[(3-aminophenyl)methyl-methylamino]-N-ethylpropanamide
CID 62325163

Frequently Asked Questions

What is the IUPAC name of 3-[(3-aminophenyl)carbamoylamino]-N-ethylpropanamide?
The IUPAC name of 3-[(3-aminophenyl)carbamoylamino]-N-ethylpropanamide (CID 113410713) is 3-[(3-aminophenyl)carbamoylamino]-N-ethylpropanamide.
What is the SMILES notation for 3-[(3-aminophenyl)carbamoylamino]-N-ethylpropanamide?
The canonical SMILES for 3-[(3-aminophenyl)carbamoylamino]-N-ethylpropanamide is CCNC(=O)CCNC(=O)Nc1cccc(N)c1.
What is the InChIKey of 3-[(3-aminophenyl)carbamoylamino]-N-ethylpropanamide?
The InChIKey is QJJZHLRPPINULP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O2/c1-2-14-11(17)6-7-15-12(18)16-10-5-3-4-9(13)8-10/h3-5,8H,2,6-7,13H2,1H3,(H,14,17)(H2,15,16,18).
What are the key properties of 3-[(3-aminophenyl)carbamoylamino]-N-ethylpropanamide?
3-[(3-aminophenyl)carbamoylamino]-N-ethylpropanamide 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 3-[(3-aminophenyl)carbamoylamino]-N-ethylpropanamide is sourced from PubChem (CID 113410713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).