(2S)-2-amino-N-[2-(4-ethoxyanilino)-2-oxoethyl]-3-methylbutanamide

C15H23N3O3 — CID 81425570

IUPAC(2S)-2-amino-N-[2-(4-ethoxyanilino)-2-oxoethyl]-3-methylbutanamide
SMILESCCOc1ccc(NC(=O)CNC(=O)[C@@H](N)C(C)C)cc1
InChIInChI=1S/C15H23N3O3/c1-4-21-12-7-5-11(6-8-12)18-13(19)9-17-15(20)14(16)10(2)3/h5-8,10,14H,4,9,16H2,1-3H3,(H,17,20)(H,18,19)/t14-/m0/s1
InChIKeyQTXISNPUQFXFCI-AWEZNQCLSA-N
MW293.37 g/mol
LogP1.12
Rot. Bonds7

About (2S)-2-amino-N-[2-(4-ethoxyanilino)-2-oxoethyl]-3-methylbutanamide

(2S)-2-amino-N-[2-(4-ethoxyanilino)-2-oxoethyl]-3-methylbutanamide (PubChem CID 81425570) has the molecular formula C15H23N3O3 and a molecular weight of 293.37 g/mol. Its IUPAC name is (2S)-2-amino-N-[2-(4-ethoxyanilino)-2-oxoethyl]-3-methylbutanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-[2-(4-ethoxyanilino)-2-oxoethyl]-3-methylbutanamide
PubChem CID81425570
Molecular FormulaC15H23N3O3
Molecular Weight293.37 g/mol
Exact Mass293.17
IUPAC Name(2S)-2-amino-N-[2-(4-ethoxyanilino)-2-oxoethyl]-3-methylbutanamide
SMILESCCOc1ccc(NC(=O)CNC(=O)[C@@H](N)C(C)C)cc1
InChIInChI=1S/C15H23N3O3/c1-4-21-12-7-5-11(6-8-12)18-13(19)9-17-15(20)14(16)10(2)3/h5-8,10,14H,4,9,16H2,1-3H3,(H,17,20)(H,18,19)/t14-/m0/s1
InChIKeyQTXISNPUQFXFCI-AWEZNQCLSA-N
XLogP1.12
TPSA93.45 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 51.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-amino-N-[2-(3-ethoxyanilino)-2-oxoethyl]-3-methylbutanamide
CID 82963498
2-amino-N-(4-ethoxyphenyl)-3-methylbutanamide;hydrochloride
CID 119261958
(2S)-2-amino-3-methyl-N-[2-(4-methylanilino)-2-oxoethyl]butanamide
CID 82962341
4-amino-N-[2-(4-ethoxyanilino)-2-oxoethyl]pentanamide
CID 120561379
3-amino-N-[2-(4-ethoxyanilino)-2-oxoethyl]-3-phenylpropanamide;hydrochloride
CID 119950653
3-amino-N-[4-(4-ethoxyphenoxy)phenyl]butanamide
CID 119680037
(2S)-2-[[2-(4-ethoxyanilino)-2-oxoethyl]amino]propanoic acid
CID 83193372
(2S)-2-amino-N-[2-(4-bromo-3-methylanilino)-2-oxoethyl]-3-methylbutanamide
CID 81433320
2-(4-ethoxyanilino)-N-(4-propan-2-ylphenyl)acetamide
CID 39452982
N-(4-ethoxyphenyl)-3-hydroxybutanamide
CID 14130
N-[2-(4-ethoxyanilino)-2-oxoethyl]-3-(3-fluorophenyl)-2-methylpropanamide
CID 48863912
(2S)-2-amino-N-[2-(4-bromo-3-fluoroanilino)-2-oxoethyl]-3-methylbutanamide
CID 82962397

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-[2-(4-ethoxyanilino)-2-oxoethyl]-3-methylbutanamide?
The IUPAC name of (2S)-2-amino-N-[2-(4-ethoxyanilino)-2-oxoethyl]-3-methylbutanamide (CID 81425570) is (2S)-2-amino-N-[2-(4-ethoxyanilino)-2-oxoethyl]-3-methylbutanamide.
What is the SMILES notation for (2S)-2-amino-N-[2-(4-ethoxyanilino)-2-oxoethyl]-3-methylbutanamide?
The canonical SMILES for (2S)-2-amino-N-[2-(4-ethoxyanilino)-2-oxoethyl]-3-methylbutanamide is CCOc1ccc(NC(=O)CNC(=O)[C@@H](N)C(C)C)cc1.
What is the InChIKey of (2S)-2-amino-N-[2-(4-ethoxyanilino)-2-oxoethyl]-3-methylbutanamide?
The InChIKey is QTXISNPUQFXFCI-AWEZNQCLSA-N. The full InChI is InChI=1S/C15H23N3O3/c1-4-21-12-7-5-11(6-8-12)18-13(19)9-17-15(20)14(16)10(2)3/h5-8,10,14H,4,9,16H2,1-3H3,(H,17,20)(H,18,19)/t14-/m0/s1.
What are the key properties of (2S)-2-amino-N-[2-(4-ethoxyanilino)-2-oxoethyl]-3-methylbutanamide?
(2S)-2-amino-N-[2-(4-ethoxyanilino)-2-oxoethyl]-3-methylbutanamide has a molecular weight of 293.37 g/mol, XLogP of 1.12, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-[2-(4-ethoxyanilino)-2-oxoethyl]-3-methylbutanamide is sourced from PubChem (CID 81425570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).