4-amino-N-[2-(4-ethoxyanilino)-2-oxoethyl]pentanamide

C15H23N3O3 — CID 120561379

IUPAC4-amino-N-[2-(4-ethoxyanilino)-2-oxoethyl]pentanamide
SMILESCCOc1ccc(NC(=O)CNC(=O)CCC(C)N)cc1
InChIInChI=1S/C15H23N3O3/c1-3-21-13-7-5-12(6-8-13)18-15(20)10-17-14(19)9-4-11(2)16/h5-8,11H,3-4,9-10,16H2,1-2H3,(H,17,19)(H,18,20)
InChIKeyHCJDQUFWZSIJAT-UHFFFAOYSA-N
MW293.37 g/mol
LogP1.27
Rot. Bonds8

About 4-amino-N-[2-(4-ethoxyanilino)-2-oxoethyl]pentanamide

4-amino-N-[2-(4-ethoxyanilino)-2-oxoethyl]pentanamide (PubChem CID 120561379) has the molecular formula C15H23N3O3 and a molecular weight of 293.37 g/mol. Its IUPAC name is 4-amino-N-[2-(4-ethoxyanilino)-2-oxoethyl]pentanamide.

Molecular Properties

Compound Name4-amino-N-[2-(4-ethoxyanilino)-2-oxoethyl]pentanamide
PubChem CID120561379
Molecular FormulaC15H23N3O3
Molecular Weight293.37 g/mol
Exact Mass293.17
IUPAC Name4-amino-N-[2-(4-ethoxyanilino)-2-oxoethyl]pentanamide
SMILESCCOc1ccc(NC(=O)CNC(=O)CCC(C)N)cc1
InChIInChI=1S/C15H23N3O3/c1-3-21-13-7-5-12(6-8-13)18-15(20)10-17-14(19)9-4-11(2)16/h5-8,11H,3-4,9-10,16H2,1-2H3,(H,17,19)(H,18,20)
InChIKeyHCJDQUFWZSIJAT-UHFFFAOYSA-N
XLogP1.27
TPSA93.45 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 51.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-amino-N-[2-(4-ethoxyanilino)-2-oxoethyl]-3-methylbutanamide
CID 81425570
3-amino-N-[4-(4-ethoxyphenoxy)phenyl]butanamide
CID 119680037
3-amino-N-[2-(4-ethoxyanilino)-2-oxoethyl]-3-phenylpropanamide;hydrochloride
CID 119950653
4-amino-N-[4-[2-(methylamino)-2-oxoethoxy]phenyl]pentanamide
CID 120562385
(2S)-2-[[2-(4-ethoxyanilino)-2-oxoethyl]amino]propanoic acid
CID 83193372
2-(4-ethoxyanilino)-N-(4-propan-2-ylphenyl)acetamide
CID 39452982
N-(4-ethoxyphenyl)-3-hydroxybutanamide
CID 14130
N-[2-oxo-2-(4-phenylmethoxyanilino)ethyl]butanamide
CID 113000427
4-amino-N-[2-oxo-2-(4-pyrazol-1-ylanilino)ethyl]pentanamide
CID 120562018
N,N'-bis(4-ethoxyphenyl)nonanediamide
CID 4507995
(2S)-5-(4-ethoxyanilino)-5-oxo-2-propan-2-ylpentanoate
CID 7372612
N-[2-[4-(dimethylamino)anilino]-2-oxoethyl]-2-(4-ethoxyphenyl)acetamide
CID 110407244

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[2-(4-ethoxyanilino)-2-oxoethyl]pentanamide?
The IUPAC name of 4-amino-N-[2-(4-ethoxyanilino)-2-oxoethyl]pentanamide (CID 120561379) is 4-amino-N-[2-(4-ethoxyanilino)-2-oxoethyl]pentanamide.
What is the SMILES notation for 4-amino-N-[2-(4-ethoxyanilino)-2-oxoethyl]pentanamide?
The canonical SMILES for 4-amino-N-[2-(4-ethoxyanilino)-2-oxoethyl]pentanamide is CCOc1ccc(NC(=O)CNC(=O)CCC(C)N)cc1.
What is the InChIKey of 4-amino-N-[2-(4-ethoxyanilino)-2-oxoethyl]pentanamide?
The InChIKey is HCJDQUFWZSIJAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O3/c1-3-21-13-7-5-12(6-8-13)18-15(20)10-17-14(19)9-4-11(2)16/h5-8,11H,3-4,9-10,16H2,1-2H3,(H,17,19)(H,18,20).
What are the key properties of 4-amino-N-[2-(4-ethoxyanilino)-2-oxoethyl]pentanamide?
4-amino-N-[2-(4-ethoxyanilino)-2-oxoethyl]pentanamide has a molecular weight of 293.37 g/mol, XLogP of 1.27, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[2-(4-ethoxyanilino)-2-oxoethyl]pentanamide is sourced from PubChem (CID 120561379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).