3-[(3-aminophenyl)carbamoylamino]propanamide

C10H14N4O2 — CID 43553830

IUPAC3-[(3-aminophenyl)carbamoylamino]propanamide
SMILESNC(=O)CCNC(=O)Nc1cccc(N)c1
InChIInChI=1S/C10H14N4O2/c11-7-2-1-3-8(6-7)14-10(16)13-5-4-9(12)15/h1-3,6H,4-5,11H2,(H2,12,15)(H2,13,14,16)
InChIKeyDOSSUMYNFRSESI-UHFFFAOYSA-N
MW222.25 g/mol
LogP0.27
Rot. Bonds4

About 3-[(3-aminophenyl)carbamoylamino]propanamide

3-[(3-aminophenyl)carbamoylamino]propanamide (PubChem CID 43553830) has the molecular formula C10H14N4O2 and a molecular weight of 222.25 g/mol. Its IUPAC name is 3-[(3-aminophenyl)carbamoylamino]propanamide.

Molecular Properties

Compound Name3-[(3-aminophenyl)carbamoylamino]propanamide
PubChem CID43553830
Molecular FormulaC10H14N4O2
Molecular Weight222.25 g/mol
Exact Mass222.11
IUPAC Name3-[(3-aminophenyl)carbamoylamino]propanamide
SMILESNC(=O)CCNC(=O)Nc1cccc(N)c1
InChIInChI=1S/C10H14N4O2/c11-7-2-1-3-8(6-7)14-10(16)13-5-4-9(12)15/h1-3,6H,4-5,11H2,(H2,12,15)(H2,13,14,16)
InChIKeyDOSSUMYNFRSESI-UHFFFAOYSA-N
XLogP0.27
TPSA110.24 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.25
LogP ≤ 50.27
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
3-(naphthalen-2-ylcarbamoylamino)propanamide
CID 23023573
5-N-[3-[(3-amino-3-oxopropyl)carbamoylamino]phenyl]pyridine-3,5-dicarboxamide
CID 166231181
2-[(3-aminophenyl)carbamoylamino]-N-propylacetamide
CID 43567574
4-(2-amino-2-oxoethyl)sulfanyl-N-(3-aminophenyl)butanamide
CID 114231287
2-[3-[(4-amino-4-oxobutyl)carbamoylamino]phenyl]acetic acid
CID 65345815
3-[(3,5-dichlorophenyl)carbamoylamino]propanamide
CID 56814254
1-(3-aminophenyl)-3-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]urea
CID 106419435
1-(3-aminophenyl)-3-[(3-methylphenyl)methyl]urea
CID 54944882
N-[(3-aminophenyl)carbamoyl]acetamide
CID 86767324
7-[3-(2-chloroethylcarbamoylamino)phenyl]heptanamide
CID 142971425
1-(3-aminophenyl)-3-(3,5-difluorophenyl)urea
CID 29042158

Frequently Asked Questions

What is the IUPAC name of 3-[(3-aminophenyl)carbamoylamino]propanamide?
The IUPAC name of 3-[(3-aminophenyl)carbamoylamino]propanamide (CID 43553830) is 3-[(3-aminophenyl)carbamoylamino]propanamide.
What is the SMILES notation for 3-[(3-aminophenyl)carbamoylamino]propanamide?
The canonical SMILES for 3-[(3-aminophenyl)carbamoylamino]propanamide is NC(=O)CCNC(=O)Nc1cccc(N)c1.
What is the InChIKey of 3-[(3-aminophenyl)carbamoylamino]propanamide?
The InChIKey is DOSSUMYNFRSESI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N4O2/c11-7-2-1-3-8(6-7)14-10(16)13-5-4-9(12)15/h1-3,6H,4-5,11H2,(H2,12,15)(H2,13,14,16).
What are the key properties of 3-[(3-aminophenyl)carbamoylamino]propanamide?
3-[(3-aminophenyl)carbamoylamino]propanamide has a molecular weight of 222.25 g/mol, XLogP of 0.27, 4 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-aminophenyl)carbamoylamino]propanamide is sourced from PubChem (CID 43553830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).