4-[2-(carbamoylamino)propanoylamino]benzamide

C11H14N4O3 — CID 24640882

IUPAC4-[2-(carbamoylamino)propanoylamino]benzamide
SMILESCC(NC(N)=O)C(=O)Nc1ccc(C(N)=O)cc1
InChIInChI=1S/C11H14N4O3/c1-6(14-11(13)18)10(17)15-8-4-2-7(3-5-8)9(12)16/h2-6H,1H3,(H2,12,16)(H,15,17)(H3,13,14,18)
InChIKeyMMCNWXAJJILWKP-UHFFFAOYSA-N
MW250.26 g/mol
LogP-0.22
Rot. Bonds4

About 4-[2-(carbamoylamino)propanoylamino]benzamide

4-[2-(carbamoylamino)propanoylamino]benzamide (PubChem CID 24640882) has the molecular formula C11H14N4O3 and a molecular weight of 250.26 g/mol. Its IUPAC name is 4-[2-(carbamoylamino)propanoylamino]benzamide.

Molecular Properties

Compound Name4-[2-(carbamoylamino)propanoylamino]benzamide
PubChem CID24640882
Molecular FormulaC11H14N4O3
Molecular Weight250.26 g/mol
Exact Mass250.11
IUPAC Name4-[2-(carbamoylamino)propanoylamino]benzamide
SMILESCC(NC(N)=O)C(=O)Nc1ccc(C(N)=O)cc1
InChIInChI=1S/C11H14N4O3/c1-6(14-11(13)18)10(17)15-8-4-2-7(3-5-8)9(12)16/h2-6H,1H3,(H2,12,16)(H,15,17)(H3,13,14,18)
InChIKeyMMCNWXAJJILWKP-UHFFFAOYSA-N
XLogP-0.22
TPSA127.31 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.26
LogP ≤ 5-0.22
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-N-(4-acetylphenyl)-2-(carbamoylamino)propanamide
CID 2366200
methyl 4-[2-(carbamoylamino)propanoylamino]benzoate
CID 4005105
2-(carbamoylamino)-N-(4-propan-2-ylphenyl)propanamide
CID 24641052
(2S)-2-(carbamoylamino)-N-[4-(difluoromethoxy)phenyl]propanamide
CID 32554575
propyl 4-[2-(carbamoylamino)propanoylamino]benzoate
CID 43404049
4-[[(2S)-2-chloropropanoyl]amino]benzamide
CID 2118148
4-[[2-(carbamoylamino)-3-methylpentanoyl]amino]benzamide
CID 24640883
2-(carbamoylamino)-N-[4-(methylsulfamoyl)phenyl]propanamide
CID 24635394
4-[[(2R)-2-(4-fluoroanilino)propanoyl]amino]benzamide
CID 32736130
4-[[(2S)-2-amino-3-methylbutanoyl]amino]benzamide
CID 22690703
4-[(3-amino-2-methylbutanoyl)amino]benzamide
CID 113416058
2-(carbamoylamino)-N-(3-methylphenyl)propanamide
CID 24643360

Frequently Asked Questions

What is the IUPAC name of 4-[2-(carbamoylamino)propanoylamino]benzamide?
The IUPAC name of 4-[2-(carbamoylamino)propanoylamino]benzamide (CID 24640882) is 4-[2-(carbamoylamino)propanoylamino]benzamide.
What is the SMILES notation for 4-[2-(carbamoylamino)propanoylamino]benzamide?
The canonical SMILES for 4-[2-(carbamoylamino)propanoylamino]benzamide is CC(NC(N)=O)C(=O)Nc1ccc(C(N)=O)cc1.
What is the InChIKey of 4-[2-(carbamoylamino)propanoylamino]benzamide?
The InChIKey is MMCNWXAJJILWKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4O3/c1-6(14-11(13)18)10(17)15-8-4-2-7(3-5-8)9(12)16/h2-6H,1H3,(H2,12,16)(H,15,17)(H3,13,14,18).
What are the key properties of 4-[2-(carbamoylamino)propanoylamino]benzamide?
4-[2-(carbamoylamino)propanoylamino]benzamide has a molecular weight of 250.26 g/mol, XLogP of -0.22, 4 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(carbamoylamino)propanoylamino]benzamide is sourced from PubChem (CID 24640882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).