4-[3-[(2-amino-2-oxoethyl)-propan-2-ylamino]propanoylamino]benzamide

C15H22N4O3 — CID 55482619

IUPAC4-[3-[(2-amino-2-oxoethyl)-propan-2-ylamino]propanoylamino]benzamide
SMILESCC(C)N(CCC(=O)Nc1ccc(C(N)=O)cc1)CC(N)=O
InChIInChI=1S/C15H22N4O3/c1-10(2)19(9-13(16)20)8-7-14(21)18-12-5-3-11(4-6-12)15(17)22/h3-6,10H,7-9H2,1-2H3,(H2,16,20)(H2,17,22)(H,18,21)
InChIKeyFPHXESGZRDMZAL-UHFFFAOYSA-N
MW306.37 g/mol
LogP0.31
Rot. Bonds8

About 4-[3-[(2-amino-2-oxoethyl)-propan-2-ylamino]propanoylamino]benzamide

4-[3-[(2-amino-2-oxoethyl)-propan-2-ylamino]propanoylamino]benzamide (PubChem CID 55482619) has the molecular formula C15H22N4O3 and a molecular weight of 306.37 g/mol. Its IUPAC name is 4-[3-[(2-amino-2-oxoethyl)-propan-2-ylamino]propanoylamino]benzamide.

Molecular Properties

Compound Name4-[3-[(2-amino-2-oxoethyl)-propan-2-ylamino]propanoylamino]benzamide
PubChem CID55482619
Molecular FormulaC15H22N4O3
Molecular Weight306.37 g/mol
Exact Mass306.17
IUPAC Name4-[3-[(2-amino-2-oxoethyl)-propan-2-ylamino]propanoylamino]benzamide
SMILESCC(C)N(CCC(=O)Nc1ccc(C(N)=O)cc1)CC(N)=O
InChIInChI=1S/C15H22N4O3/c1-10(2)19(9-13(16)20)8-7-14(21)18-12-5-3-11(4-6-12)15(17)22/h3-6,10H,7-9H2,1-2H3,(H2,16,20)(H2,17,22)(H,18,21)
InChIKeyFPHXESGZRDMZAL-UHFFFAOYSA-N
XLogP0.31
TPSA118.52 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.37
LogP ≤ 50.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(2-amino-2-oxoethyl)-propan-2-ylamino]-N-(4-morpholin-4-ylphenyl)propanamide
CID 55482537
3-[[2-(4-methylanilino)-2-oxoethyl]-propan-2-ylamino]propanoic acid
CID 60840513
N-(4-acetylphenyl)-3-[benzyl(propan-2-yl)amino]propanamide
CID 109031834
3-[[2-(4-bromoanilino)-2-oxoethyl]-propan-2-ylamino]propanoic acid
CID 60838316
3-[[2-(4-chloroanilino)-2-oxoethyl]-propan-2-ylamino]propanoic acid
CID 60840352
4-[3-[[(1R)-1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-methylamino]propanoylamino]benzamide
CID 124758919
methyl 4-(4-carbamoylanilino)-4-oxobutanoate
CID 721935
4-(4-hydroxybutanoylamino)benzamide
CID 79203349
2-[(4-acetylphenyl)carbamoyl-propan-2-ylamino]acetamide
CID 60724260
4-[3-[[2-(3,4-dimethylanilino)-2-oxoethyl]-ethylamino]propanoylamino]benzamide
CID 36638223
N-(4-carbamothioylphenyl)-3-[2-hydroxypropyl(methyl)amino]propanamide
CID 62335182
4-[2-[4-(butanoylamino)phenyl]sulfanylpropanoylamino]benzamide
CID 19629813

Frequently Asked Questions

What is the IUPAC name of 4-[3-[(2-amino-2-oxoethyl)-propan-2-ylamino]propanoylamino]benzamide?
The IUPAC name of 4-[3-[(2-amino-2-oxoethyl)-propan-2-ylamino]propanoylamino]benzamide (CID 55482619) is 4-[3-[(2-amino-2-oxoethyl)-propan-2-ylamino]propanoylamino]benzamide.
What is the SMILES notation for 4-[3-[(2-amino-2-oxoethyl)-propan-2-ylamino]propanoylamino]benzamide?
The canonical SMILES for 4-[3-[(2-amino-2-oxoethyl)-propan-2-ylamino]propanoylamino]benzamide is CC(C)N(CCC(=O)Nc1ccc(C(N)=O)cc1)CC(N)=O.
What is the InChIKey of 4-[3-[(2-amino-2-oxoethyl)-propan-2-ylamino]propanoylamino]benzamide?
The InChIKey is FPHXESGZRDMZAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4O3/c1-10(2)19(9-13(16)20)8-7-14(21)18-12-5-3-11(4-6-12)15(17)22/h3-6,10H,7-9H2,1-2H3,(H2,16,20)(H2,17,22)(H,18,21).
What are the key properties of 4-[3-[(2-amino-2-oxoethyl)-propan-2-ylamino]propanoylamino]benzamide?
4-[3-[(2-amino-2-oxoethyl)-propan-2-ylamino]propanoylamino]benzamide has a molecular weight of 306.37 g/mol, XLogP of 0.31, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[(2-amino-2-oxoethyl)-propan-2-ylamino]propanoylamino]benzamide is sourced from PubChem (CID 55482619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).