(2S)-2-[[2-(4-acetamidoanilino)-2-oxoethyl]-ethylamino]-N-ethylpropanamide

C17H26N4O3 — CID 8791504

IUPAC(2S)-2-[[2-(4-acetamidoanilino)-2-oxoethyl]-ethylamino]-N-ethylpropanamide
SMILESCCNC(=O)[C@H](C)N(CC)CC(=O)Nc1ccc(NC(C)=O)cc1
InChIInChI=1S/C17H26N4O3/c1-5-18-17(24)12(3)21(6-2)11-16(23)20-15-9-7-14(8-10-15)19-13(4)22/h7-10,12H,5-6,11H2,1-4H3,(H,18,24)(H,19,22)(H,20,23)/t12-/m0/s1
InChIKeyYZECSHMBRXIEKE-LBPRGKRZSA-N
MW334.42 g/mol
LogP1.43
Rot. Bonds8

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

(2S)-2-[[2-(4-acetamidoanilino)-2-oxoethyl]-ethylamino]-N-ethylpropanamide (PubChem CID 8791504) has the molecular formula C17H26N4O3 and a molecular weight of 334.42 g/mol. Its IUPAC name is (2S)-2-[[2-(4-acetamidoanilino)-2-oxoethyl]-ethylamino]-N-ethylpropanamide.

Molecular Properties

Compound Name(2S)-2-[[2-(4-acetamidoanilino)-2-oxoethyl]-ethylamino]-N-ethylpropanamide
PubChem CID8791504
Molecular FormulaC17H26N4O3
Molecular Weight334.42 g/mol
Exact Mass334.20
IUPAC Name(2S)-2-[[2-(4-acetamidoanilino)-2-oxoethyl]-ethylamino]-N-ethylpropanamide
SMILESCCNC(=O)[C@H](C)N(CC)CC(=O)Nc1ccc(NC(C)=O)cc1
InChIInChI=1S/C17H26N4O3/c1-5-18-17(24)12(3)21(6-2)11-16(23)20-15-9-7-14(8-10-15)19-13(4)22/h7-10,12H,5-6,11H2,1-4H3,(H,18,24)(H,19,22)(H,20,23)/t12-/m0/s1
InChIKeyYZECSHMBRXIEKE-LBPRGKRZSA-N
XLogP1.43
TPSA90.54 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 51.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-[[2-(4-acetamidoanilino)-2-oxoethyl]-ethylamino]propanamide
CID 8779615
2-[[2-(4-acetamidoanilino)-2-oxoethyl]-ethylamino]-N-cyclopentylpropanamide
CID 51171045
(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
2-[[2-(4-acetamidoanilino)-2-oxoethyl]-ethylamino]-N-cyclohexylpropanamide
CID 51171048
(2R)-2-[[2-(4-acetamidoanilino)-2-oxoethyl]-ethylamino]-N-[(1R,2S)-2-methylcyclohexyl]propanamide
CID 11933178
2-[2-[[2-(4-acetamidoanilino)-2-oxoethyl]-ethylamino]propanoylamino]thiophene-3-carboxamide
CID 18224965
(2S)-2-[[2-(4-acetamidoanilino)-2-oxoethyl]-ethylamino]-N-[(1R,2S,3S)-2,3-dimethylcyclohexyl]propanamide
CID 11933385
2-[ethyl-[2-(4-methoxyanilino)-2-oxoethyl]amino]-N-(4-ethylphenyl)propanamide
CID 18078718
2-[ethyl-[2-(4-methoxyanilino)-2-oxoethyl]amino]-N-(thiophen-2-ylmethyl)propanamide
CID 18094706
(2S)-N-[4-(difluoromethoxy)phenyl]-2-[ethyl-[2-(4-methoxyanilino)-2-oxoethyl]amino]propanamide
CID 37425693
(2R)-2-[ethyl-[2-(4-methoxyanilino)-2-oxoethyl]amino]-N-naphthalen-2-ylpropanamide
CID 9027057

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[[2-(4-acetamidoanilino)-2-oxoethyl]-ethylamino]-N-ethylpropanamide?
The IUPAC name of (2S)-2-[[2-(4-acetamidoanilino)-2-oxoethyl]-ethylamino]-N-ethylpropanamide (CID 8791504) is (2S)-2-[[2-(4-acetamidoanilino)-2-oxoethyl]-ethylamino]-N-ethylpropanamide.
What is the SMILES notation for (2S)-2-[[2-(4-acetamidoanilino)-2-oxoethyl]-ethylamino]-N-ethylpropanamide?
The canonical SMILES for (2S)-2-[[2-(4-acetamidoanilino)-2-oxoethyl]-ethylamino]-N-ethylpropanamide is CCNC(=O)[C@H](C)N(CC)CC(=O)Nc1ccc(NC(C)=O)cc1.
What is the InChIKey of (2S)-2-[[2-(4-acetamidoanilino)-2-oxoethyl]-ethylamino]-N-ethylpropanamide?
The InChIKey is YZECSHMBRXIEKE-LBPRGKRZSA-N. The full InChI is InChI=1S/C17H26N4O3/c1-5-18-17(24)12(3)21(6-2)11-16(23)20-15-9-7-14(8-10-15)19-13(4)22/h7-10,12H,5-6,11H2,1-4H3,(H,18,24)(H,19,22)(H,20,23)/t12-/m0/s1.
What are the key properties of (2S)-2-[[2-(4-acetamidoanilino)-2-oxoethyl]-ethylamino]-N-ethylpropanamide?
(2S)-2-[[2-(4-acetamidoanilino)-2-oxoethyl]-ethylamino]-N-ethylpropanamide has a molecular weight of 334.42 g/mol, XLogP of 1.43, 8 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]-N-ethylpropanamide is sourced from PubChem (CID 8791504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).