(2S)-2-amino-N-ethyl-N-(oxolan-3-ylmethyl)-4-phenylbutanamide

C17H26N2O2 — CID 104984084

IUPAC(2S)-2-amino-N-ethyl-N-(oxolan-3-ylmethyl)-4-phenylbutanamide
SMILESCCN(CC1CCOC1)C(=O)[C@@H](N)CCc1ccccc1
InChIInChI=1S/C17H26N2O2/c1-2-19(12-15-10-11-21-13-15)17(20)16(18)9-8-14-6-4-3-5-7-14/h3-7,15-16H,2,8-13,18H2,1H3/t15?,16-/m0/s1
InChIKeyIWSKKKDQWOISCC-LYKKTTPLSA-N
MW290.41 g/mol
LogP1.83
Rot. Bonds7

About (2S)-2-amino-N-ethyl-N-(oxolan-3-ylmethyl)-4-phenylbutanamide

(2S)-2-amino-N-ethyl-N-(oxolan-3-ylmethyl)-4-phenylbutanamide (PubChem CID 104984084) has the molecular formula C17H26N2O2 and a molecular weight of 290.41 g/mol. Its IUPAC name is (2S)-2-amino-N-ethyl-N-(oxolan-3-ylmethyl)-4-phenylbutanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-ethyl-N-(oxolan-3-ylmethyl)-4-phenylbutanamide
PubChem CID104984084
Molecular FormulaC17H26N2O2
Molecular Weight290.41 g/mol
Exact Mass290.20
IUPAC Name(2S)-2-amino-N-ethyl-N-(oxolan-3-ylmethyl)-4-phenylbutanamide
SMILESCCN(CC1CCOC1)C(=O)[C@@H](N)CCc1ccccc1
InChIInChI=1S/C17H26N2O2/c1-2-19(12-15-10-11-21-13-15)17(20)16(18)9-8-14-6-4-3-5-7-14/h3-7,15-16H,2,8-13,18H2,1H3/t15?,16-/m0/s1
InChIKeyIWSKKKDQWOISCC-LYKKTTPLSA-N
XLogP1.83
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-amino-N-(cyclobutylmethyl)-N-ethyl-4-phenylbutanamide
CID 107398372
(2S)-2-amino-N-ethyl-N-(oxolan-2-ylmethyl)-4-phenylbutanamide
CID 104984220
2-amino-N-ethyl-N-(oxolan-3-ylmethyl)hexanamide
CID 54874277
2-amino-N-ethyl-3-(4-hydroxyphenyl)-N-(oxolan-3-ylmethyl)propanamide
CID 76894991
(2S)-2-amino-N-ethyl-N-(oxolan-3-ylmethyl)propanamide
CID 61148831
3-amino-N-ethyl-N-(oxolan-3-ylmethyl)-3-phenylpropanamide
CID 60953285
(2R)-2-amino-N-(cyclopropylmethyl)-N-ethyl-3-phenylpropanamide
CID 78954609
2-[[(2S)-2-amino-4-phenylbutanoyl]-ethylamino]acetic acid
CID 104984270
(2R)-N-ethyl-N-[[(3S)-oxolan-3-yl]methyl]-2-phenylsulfanylbutanamide
CID 95621072
N-ethyl-2-(N-ethylanilino)-N-(oxolan-3-ylmethyl)acetamide
CID 51097037
(2S)-2-amino-N-ethyl-N-(2-ethylbutyl)-4-phenylbutanamide
CID 104983957
(2S)-2-amino-N-ethyl-N-(2-methylprop-2-enyl)-4-phenylbutanamide
CID 104983828

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-ethyl-N-(oxolan-3-ylmethyl)-4-phenylbutanamide?
The IUPAC name of (2S)-2-amino-N-ethyl-N-(oxolan-3-ylmethyl)-4-phenylbutanamide (CID 104984084) is (2S)-2-amino-N-ethyl-N-(oxolan-3-ylmethyl)-4-phenylbutanamide.
What is the SMILES notation for (2S)-2-amino-N-ethyl-N-(oxolan-3-ylmethyl)-4-phenylbutanamide?
The canonical SMILES for (2S)-2-amino-N-ethyl-N-(oxolan-3-ylmethyl)-4-phenylbutanamide is CCN(CC1CCOC1)C(=O)[C@@H](N)CCc1ccccc1.
What is the InChIKey of (2S)-2-amino-N-ethyl-N-(oxolan-3-ylmethyl)-4-phenylbutanamide?
The InChIKey is IWSKKKDQWOISCC-LYKKTTPLSA-N. The full InChI is InChI=1S/C17H26N2O2/c1-2-19(12-15-10-11-21-13-15)17(20)16(18)9-8-14-6-4-3-5-7-14/h3-7,15-16H,2,8-13,18H2,1H3/t15?,16-/m0/s1.
What are the key properties of (2S)-2-amino-N-ethyl-N-(oxolan-3-ylmethyl)-4-phenylbutanamide?
(2S)-2-amino-N-ethyl-N-(oxolan-3-ylmethyl)-4-phenylbutanamide has a molecular weight of 290.41 g/mol, XLogP of 1.83, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-ethyl-N-(oxolan-3-ylmethyl)-4-phenylbutanamide is sourced from PubChem (CID 104984084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).