(2S)-2-[[2-(4-acetamidoanilino)-2-oxoethyl]-ethylamino]propanamide

C15H22N4O3 — CID 8779615

IUPAC(2S)-2-[[2-(4-acetamidoanilino)-2-oxoethyl]-ethylamino]propanamide
SMILESCCN(CC(=O)Nc1ccc(NC(C)=O)cc1)[C@@H](C)C(N)=O
InChIInChI=1S/C15H22N4O3/c1-4-19(10(2)15(16)22)9-14(21)18-13-7-5-12(6-8-13)17-11(3)20/h5-8,10H,4,9H2,1-3H3,(H2,16,22)(H,17,20)(H,18,21)/t10-/m0/s1
InChIKeyRSQLRLUWEVOHIN-JTQLQIEISA-N
MW306.37 g/mol
LogP0.78
Rot. Bonds7

About (2S)-2-[[2-(4-acetamidoanilino)-2-oxoethyl]-ethylamino]propanamide

(2S)-2-[[2-(4-acetamidoanilino)-2-oxoethyl]-ethylamino]propanamide (PubChem CID 8779615) has the molecular formula C15H22N4O3 and a molecular weight of 306.37 g/mol. Its IUPAC name is (2S)-2-[[2-(4-acetamidoanilino)-2-oxoethyl]-ethylamino]propanamide.

Molecular Properties

Compound Name(2S)-2-[[2-(4-acetamidoanilino)-2-oxoethyl]-ethylamino]propanamide
PubChem CID8779615
Molecular FormulaC15H22N4O3
Molecular Weight306.37 g/mol
Exact Mass306.17
IUPAC Name(2S)-2-[[2-(4-acetamidoanilino)-2-oxoethyl]-ethylamino]propanamide
SMILESCCN(CC(=O)Nc1ccc(NC(C)=O)cc1)[C@@H](C)C(N)=O
InChIInChI=1S/C15H22N4O3/c1-4-19(10(2)15(16)22)9-14(21)18-13-7-5-12(6-8-13)17-11(3)20/h5-8,10H,4,9H2,1-3H3,(H2,16,22)(H,17,20)(H,18,21)/t10-/m0/s1
InChIKeyRSQLRLUWEVOHIN-JTQLQIEISA-N
XLogP0.78
TPSA104.53 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.37
LogP ≤ 50.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-[[2-(4-acetamidoanilino)-2-oxoethyl]-ethylamino]-N-ethylpropanamide
CID 8791504
2-[[2-(4-acetamidoanilino)-2-oxoethyl]-ethylamino]-N-cyclopentylpropanamide
CID 51171045
2-[[2-(4-acetamidoanilino)-2-oxoethyl]-ethylamino]-N-cyclohexylpropanamide
CID 51171048
2-[2-[[2-(4-acetamidoanilino)-2-oxoethyl]-ethylamino]propanoylamino]thiophene-3-carboxamide
CID 18224965
(2S)-2-[[2-(4-acetamidoanilino)-2-oxoethyl]-ethylamino]-N-(2-propan-2-ylphenyl)propanamide
CID 40746002
2-[[2-(4-acetamidoanilino)-2-oxoethyl]-ethylamino]-N-(2-methylphenyl)propanamide
CID 51171051
(2R)-2-[[2-(4-acetamidoanilino)-2-oxoethyl]-ethylamino]-N-[(1R,2S)-2-methylcyclohexyl]propanamide
CID 11933178
(2S)-2-[[2-(4-acetamidoanilino)-2-oxoethyl]-ethylamino]-N-[(1R,2S,3S)-2,3-dimethylcyclohexyl]propanamide
CID 11933385
(2S)-2-[[2-(4-acetamidoanilino)-2-oxoethyl]-ethylamino]-N-[(3-fluorophenyl)methyl]-N-methylpropanamide
CID 8791449
(2S)-N-[4-(difluoromethoxy)phenyl]-2-[ethyl-[2-(4-methoxyanilino)-2-oxoethyl]amino]propanamide
CID 37425693
N-[4-(aminomethyl)phenyl]-2-[1-(dimethylamino)propan-2-yl-ethylamino]acetamide
CID 103187880
2-[[2-(4-acetamidoanilino)-2-oxoethyl]-ethylamino]-N-(4-methylphenyl)acetamide
CID 8779968

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[[2-(4-acetamidoanilino)-2-oxoethyl]-ethylamino]propanamide?
The IUPAC name of (2S)-2-[[2-(4-acetamidoanilino)-2-oxoethyl]-ethylamino]propanamide (CID 8779615) is (2S)-2-[[2-(4-acetamidoanilino)-2-oxoethyl]-ethylamino]propanamide.
What is the SMILES notation for (2S)-2-[[2-(4-acetamidoanilino)-2-oxoethyl]-ethylamino]propanamide?
The canonical SMILES for (2S)-2-[[2-(4-acetamidoanilino)-2-oxoethyl]-ethylamino]propanamide is CCN(CC(=O)Nc1ccc(NC(C)=O)cc1)[C@@H](C)C(N)=O.
What is the InChIKey of (2S)-2-[[2-(4-acetamidoanilino)-2-oxoethyl]-ethylamino]propanamide?
The InChIKey is RSQLRLUWEVOHIN-JTQLQIEISA-N. The full InChI is InChI=1S/C15H22N4O3/c1-4-19(10(2)15(16)22)9-14(21)18-13-7-5-12(6-8-13)17-11(3)20/h5-8,10H,4,9H2,1-3H3,(H2,16,22)(H,17,20)(H,18,21)/t10-/m0/s1.
What are the key properties of (2S)-2-[[2-(4-acetamidoanilino)-2-oxoethyl]-ethylamino]propanamide?
(2S)-2-[[2-(4-acetamidoanilino)-2-oxoethyl]-ethylamino]propanamide has a molecular weight of 306.37 g/mol, XLogP of 0.78, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[[2-(4-acetamidoanilino)-2-oxoethyl]-ethylamino]propanamide is sourced from PubChem (CID 8779615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).