(2S)-2-amino-N-[(2S)-1-(4-ethoxyanilino)-1-oxopropan-2-yl]propanamide

C14H21N3O3 — CID 131859212

IUPAC(2S)-2-amino-N-[(2S)-1-(4-ethoxyanilino)-1-oxopropan-2-yl]propanamide
SMILESCCOc1ccc(NC(=O)[C@H](C)NC(=O)[C@H](C)N)cc1
InChIInChI=1S/C14H21N3O3/c1-4-20-12-7-5-11(6-8-12)17-14(19)10(3)16-13(18)9(2)15/h5-10H,4,15H2,1-3H3,(H,16,18)(H,17,19)/t9-,10-/m0/s1
InChIKeyWESVMHCRWGDXAS-UWVGGRQHSA-N
MW279.34 g/mol
LogP0.88
Rot. Bonds6

About (2S)-2-amino-N-[(2S)-1-(4-ethoxyanilino)-1-oxopropan-2-yl]propanamide

(2S)-2-amino-N-[(2S)-1-(4-ethoxyanilino)-1-oxopropan-2-yl]propanamide (PubChem CID 131859212) has the molecular formula C14H21N3O3 and a molecular weight of 279.34 g/mol. Its IUPAC name is (2S)-2-amino-N-[(2S)-1-(4-ethoxyanilino)-1-oxopropan-2-yl]propanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-[(2S)-1-(4-ethoxyanilino)-1-oxopropan-2-yl]propanamide
PubChem CID131859212
Molecular FormulaC14H21N3O3
Molecular Weight279.34 g/mol
Exact Mass279.16
IUPAC Name(2S)-2-amino-N-[(2S)-1-(4-ethoxyanilino)-1-oxopropan-2-yl]propanamide
SMILESCCOc1ccc(NC(=O)[C@H](C)NC(=O)[C@H](C)N)cc1
InChIInChI=1S/C14H21N3O3/c1-4-20-12-7-5-11(6-8-12)17-14(19)10(3)16-13(18)9(2)15/h5-10H,4,15H2,1-3H3,(H,16,18)(H,17,19)/t9-,10-/m0/s1
InChIKeyWESVMHCRWGDXAS-UWVGGRQHSA-N
XLogP0.88
TPSA93.45 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 50.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-(carbamoylamino)-N-[4-(4-ethoxyphenoxy)phenyl]propanamide
CID 18159437
2-amino-N-(4-ethoxyphenyl)-3-methylbutanamide;hydrochloride
CID 119261958
2-amino-N-(4-propoxyphenyl)propanamide
CID 62327124
N-[1-[4-(4-ethoxyphenoxy)anilino]-1-oxopropan-2-yl]benzamide
CID 24636992
4-[[(2S)-2-[[(2S)-2-aminopropanoyl]amino]propanoyl]amino]benzoic acid
CID 7019942
(2R)-2-bromo-N-(4-ethoxyphenyl)-3-methylbutanamide
CID 7079963
2-amino-N-(4-ethoxyphenyl)-4-methoxybutanamide
CID 55080527
methyl 2-[4-[[(2R)-2-aminopropanoyl]amino]phenoxy]acetate;hydrochloride
CID 119283548
(2R)-2-amino-N-[4-(2,2-difluoroethoxy)phenyl]propanamide;hydrochloride
CID 119338172
(2S)-2-amino-N-(4-butan-2-yloxyphenyl)propanamide
CID 119298172
3-amino-N-[4-(4-ethoxyphenoxy)phenyl]butanamide
CID 119680037
(2R)-2-amino-N-[4-(3-amino-3-oxopropoxy)phenyl]propanamide;hydrochloride
CID 119294951

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-[(2S)-1-(4-ethoxyanilino)-1-oxopropan-2-yl]propanamide?
The IUPAC name of (2S)-2-amino-N-[(2S)-1-(4-ethoxyanilino)-1-oxopropan-2-yl]propanamide (CID 131859212) is (2S)-2-amino-N-[(2S)-1-(4-ethoxyanilino)-1-oxopropan-2-yl]propanamide.
What is the SMILES notation for (2S)-2-amino-N-[(2S)-1-(4-ethoxyanilino)-1-oxopropan-2-yl]propanamide?
The canonical SMILES for (2S)-2-amino-N-[(2S)-1-(4-ethoxyanilino)-1-oxopropan-2-yl]propanamide is CCOc1ccc(NC(=O)[C@H](C)NC(=O)[C@H](C)N)cc1.
What is the InChIKey of (2S)-2-amino-N-[(2S)-1-(4-ethoxyanilino)-1-oxopropan-2-yl]propanamide?
The InChIKey is WESVMHCRWGDXAS-UWVGGRQHSA-N. The full InChI is InChI=1S/C14H21N3O3/c1-4-20-12-7-5-11(6-8-12)17-14(19)10(3)16-13(18)9(2)15/h5-10H,4,15H2,1-3H3,(H,16,18)(H,17,19)/t9-,10-/m0/s1.
What are the key properties of (2S)-2-amino-N-[(2S)-1-(4-ethoxyanilino)-1-oxopropan-2-yl]propanamide?
(2S)-2-amino-N-[(2S)-1-(4-ethoxyanilino)-1-oxopropan-2-yl]propanamide has a molecular weight of 279.34 g/mol, XLogP of 0.88, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-[(2S)-1-(4-ethoxyanilino)-1-oxopropan-2-yl]propanamide is sourced from PubChem (CID 131859212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).