(2S)-2-amino-N-[[2-(ethoxymethyl)phenyl]methyl]pentanamide

C15H24N2O2 — CID 93359004

IUPAC(2S)-2-amino-N-[[2-(ethoxymethyl)phenyl]methyl]pentanamide
SMILESCCC[C@H](N)C(=O)NCc1ccccc1COCC
InChIInChI=1S/C15H24N2O2/c1-3-7-14(16)15(18)17-10-12-8-5-6-9-13(12)11-19-4-2/h5-6,8-9,14H,3-4,7,10-11,16H2,1-2H3,(H,17,18)/t14-/m0/s1
InChIKeyKSVJYDIMTQSIGG-AWEZNQCLSA-N
MW264.37 g/mol
LogP1.97
Rot. Bonds8

About (2S)-2-amino-N-[[2-(ethoxymethyl)phenyl]methyl]pentanamide

(2S)-2-amino-N-[[2-(ethoxymethyl)phenyl]methyl]pentanamide (PubChem CID 93359004) has the molecular formula C15H24N2O2 and a molecular weight of 264.37 g/mol. Its IUPAC name is (2S)-2-amino-N-[[2-(ethoxymethyl)phenyl]methyl]pentanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-[[2-(ethoxymethyl)phenyl]methyl]pentanamide
PubChem CID93359004
Molecular FormulaC15H24N2O2
Molecular Weight264.37 g/mol
Exact Mass264.18
IUPAC Name(2S)-2-amino-N-[[2-(ethoxymethyl)phenyl]methyl]pentanamide
SMILESCCC[C@H](N)C(=O)NCc1ccccc1COCC
InChIInChI=1S/C15H24N2O2/c1-3-7-14(16)15(18)17-10-12-8-5-6-9-13(12)11-19-4-2/h5-6,8-9,14H,3-4,7,10-11,16H2,1-2H3,(H,17,18)/t14-/m0/s1
InChIKeyKSVJYDIMTQSIGG-AWEZNQCLSA-N
XLogP1.97
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-N-[(2-ethylphenyl)methyl]pentanamide;hydrochloride
CID 119331955
(2S)-2-amino-N-[[2-(ethoxymethyl)phenyl]methyl]-3-phenylpropanamide
CID 119286568
(2S)-2-amino-N-[[2-(ethoxymethyl)phenyl]methyl]propanamide;hydrochloride
CID 119286563
(2R)-2-amino-N-[[2-(ethoxymethyl)phenyl]methyl]-3,3-dimethylbutanamide
CID 103928994
2-amino-N-[[2-[(2-chlorophenoxy)methyl]phenyl]methyl]pentanamide
CID 119333070
(2R)-2-amino-N-[[2-[(dimethylamino)methyl]phenyl]methyl]pentanamide
CID 103813347
2-amino-3-methoxy-N-[[2-(propoxymethyl)phenyl]methyl]propanamide;hydrochloride
CID 120986491
4-amino-N-[[2-(propoxymethyl)phenyl]methyl]pentanamide
CID 120560690
N-[[2-(ethoxymethyl)phenyl]methyl]-2,2-diphenylacetamide
CID 55599193
2-amino-N-[(2-ethylphenyl)methyl]hexanamide
CID 64682652
2-amino-N-benzylpentanamide
CID 11020044
2-amino-4-methoxy-N-[[2-(methoxymethyl)phenyl]methyl]butanamide
CID 62473216

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-[[2-(ethoxymethyl)phenyl]methyl]pentanamide?
The IUPAC name of (2S)-2-amino-N-[[2-(ethoxymethyl)phenyl]methyl]pentanamide (CID 93359004) is (2S)-2-amino-N-[[2-(ethoxymethyl)phenyl]methyl]pentanamide.
What is the SMILES notation for (2S)-2-amino-N-[[2-(ethoxymethyl)phenyl]methyl]pentanamide?
The canonical SMILES for (2S)-2-amino-N-[[2-(ethoxymethyl)phenyl]methyl]pentanamide is CCC[C@H](N)C(=O)NCc1ccccc1COCC.
What is the InChIKey of (2S)-2-amino-N-[[2-(ethoxymethyl)phenyl]methyl]pentanamide?
The InChIKey is KSVJYDIMTQSIGG-AWEZNQCLSA-N. The full InChI is InChI=1S/C15H24N2O2/c1-3-7-14(16)15(18)17-10-12-8-5-6-9-13(12)11-19-4-2/h5-6,8-9,14H,3-4,7,10-11,16H2,1-2H3,(H,17,18)/t14-/m0/s1.
What are the key properties of (2S)-2-amino-N-[[2-(ethoxymethyl)phenyl]methyl]pentanamide?
(2S)-2-amino-N-[[2-(ethoxymethyl)phenyl]methyl]pentanamide has a molecular weight of 264.37 g/mol, XLogP of 1.97, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-[[2-(ethoxymethyl)phenyl]methyl]pentanamide is sourced from PubChem (CID 93359004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).