3-[(3-amino-3-oxopropyl)amino]benzamide

C10H13N3O2 — CID 107811145

IUPAC3-[(3-amino-3-oxopropyl)amino]benzamide
SMILESNC(=O)CCNc1cccc(C(N)=O)c1
InChIInChI=1S/C10H13N3O2/c11-9(14)4-5-13-8-3-1-2-7(6-8)10(12)15/h1-3,6,13H,4-5H2,(H2,11,14)(H2,12,15)
InChIKeyRMHMJKMOANMCGS-UHFFFAOYSA-N
MW207.23 g/mol
LogP0.07
Rot. Bonds5

About 3-[(3-amino-3-oxopropyl)amino]benzamide

3-[(3-amino-3-oxopropyl)amino]benzamide (PubChem CID 107811145) has the molecular formula C10H13N3O2 and a molecular weight of 207.23 g/mol. Its IUPAC name is 3-[(3-amino-3-oxopropyl)amino]benzamide.

Molecular Properties

Compound Name3-[(3-amino-3-oxopropyl)amino]benzamide
PubChem CID107811145
Molecular FormulaC10H13N3O2
Molecular Weight207.23 g/mol
Exact Mass207.10
IUPAC Name3-[(3-amino-3-oxopropyl)amino]benzamide
SMILESNC(=O)CCNc1cccc(C(N)=O)c1
InChIInChI=1S/C10H13N3O2/c11-9(14)4-5-13-8-3-1-2-7(6-8)10(12)15/h1-3,6,13H,4-5H2,(H2,11,14)(H2,12,15)
InChIKeyRMHMJKMOANMCGS-UHFFFAOYSA-N
XLogP0.07
TPSA98.21 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.23
LogP ≤ 50.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 3-(3-carbamoylanilino)propanoate
CID 114003548
3-(3-methoxyanilino)propanamide
CID 43131962
3-[2-(diethylamino)ethylamino]benzamide
CID 107811316
3-(3-nitroanilino)propanamide
CID 21238871
3-(2-pyridin-4-ylethylamino)benzamide
CID 107811285
3-[(4-fluorophenyl)methylamino]benzamide
CID 28650463
ethyl 6-(3-carbamoylanilino)hexanoate
CID 107808980
3-(2-propan-2-ylsulfonylethylamino)benzamide
CID 114003703
3-(3,4-dimethylanilino)propanamide
CID 43131963
3-[(2-hydroxyphenyl)methylamino]benzamide
CID 28650539
3-[[2-(carbamoylamino)-2-oxoethyl]amino]benzamide
CID 113218880
4-(3-chloroanilino)butanamide
CID 67066977

Frequently Asked Questions

What is the IUPAC name of 3-[(3-amino-3-oxopropyl)amino]benzamide?
The IUPAC name of 3-[(3-amino-3-oxopropyl)amino]benzamide (CID 107811145) is 3-[(3-amino-3-oxopropyl)amino]benzamide.
What is the SMILES notation for 3-[(3-amino-3-oxopropyl)amino]benzamide?
The canonical SMILES for 3-[(3-amino-3-oxopropyl)amino]benzamide is NC(=O)CCNc1cccc(C(N)=O)c1.
What is the InChIKey of 3-[(3-amino-3-oxopropyl)amino]benzamide?
The InChIKey is RMHMJKMOANMCGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O2/c11-9(14)4-5-13-8-3-1-2-7(6-8)10(12)15/h1-3,6,13H,4-5H2,(H2,11,14)(H2,12,15).
What are the key properties of 3-[(3-amino-3-oxopropyl)amino]benzamide?
3-[(3-amino-3-oxopropyl)amino]benzamide has a molecular weight of 207.23 g/mol, XLogP of 0.07, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-amino-3-oxopropyl)amino]benzamide is sourced from PubChem (CID 107811145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).