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

C17H26N2O2 — CID 104984220

IUPAC(2S)-2-amino-N-ethyl-N-(oxolan-2-ylmethyl)-4-phenylbutanamide
SMILESCCN(CC1CCCO1)C(=O)[C@@H](N)CCc1ccccc1
InChIInChI=1S/C17H26N2O2/c1-2-19(13-15-9-6-12-21-15)17(20)16(18)11-10-14-7-4-3-5-8-14/h3-5,7-8,15-16H,2,6,9-13,18H2,1H3/t15?,16-/m0/s1
InChIKeyYGPDHRTUHAMFIU-LYKKTTPLSA-N
MW290.41 g/mol
LogP1.97
Rot. Bonds7

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

(2S)-2-amino-N-ethyl-N-(oxolan-2-ylmethyl)-4-phenylbutanamide (PubChem CID 104984220) 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-2-ylmethyl)-4-phenylbutanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-ethyl-N-(oxolan-2-ylmethyl)-4-phenylbutanamide
PubChem CID104984220
Molecular FormulaC17H26N2O2
Molecular Weight290.41 g/mol
Exact Mass290.20
IUPAC Name(2S)-2-amino-N-ethyl-N-(oxolan-2-ylmethyl)-4-phenylbutanamide
SMILESCCN(CC1CCCO1)C(=O)[C@@H](N)CCc1ccccc1
InChIInChI=1S/C17H26N2O2/c1-2-19(13-15-9-6-12-21-15)17(20)16(18)11-10-14-7-4-3-5-8-14/h3-5,7-8,15-16H,2,6,9-13,18H2,1H3/t15?,16-/m0/s1
InChIKeyYGPDHRTUHAMFIU-LYKKTTPLSA-N
XLogP1.97
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 ≤ 51.97
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
3-amino-N-ethyl-2-methyl-N-(oxolan-2-ylmethyl)-3-phenylpropanamide;hydrochloride
CID 119750532
(2S)-2-amino-3-(1-benzylimidazol-4-yl)-N-ethyl-N-(oxolan-2-ylmethyl)propanamide
CID 119750560
(2S)-2-amino-N-benzyl-N-(oxolan-2-ylmethyl)propanamide
CID 119302482
2-chloro-N-ethyl-N-(oxolan-2-ylmethyl)-2-phenylacetamide
CID 61435349
2-[[(2S)-2-amino-4-phenylbutanoyl]-ethylamino]acetic acid
CID 104984270
(2S)-2-amino-N-[2-(oxolan-2-yl)ethyl]-4-phenylbutanamide
CID 104984102
N-ethyl-N-(oxolan-2-ylmethyl)-2-(phenylcarbamoylamino)propanamide
CID 51091586
(2S)-2-amino-N,N-bis(oxolan-2-ylmethyl)hexanamide
CID 103831500
4-amino-N-benzyl-N-(oxolan-2-ylmethyl)pentanamide
CID 120561181
(2S)-2-amino-N-[2-(4-methylphenyl)ethyl]-4-methylsulfanyl-N-(oxolan-2-ylmethyl)butanamide
CID 119336274
N-ethyl-N-[[(2S)-oxolan-2-yl]methyl]-3-[5-(3-phenylpropyl)-1,3,4-oxadiazol-2-yl]propanamide
CID 42393532

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-ethyl-N-(oxolan-2-ylmethyl)-4-phenylbutanamide?
The IUPAC name of (2S)-2-amino-N-ethyl-N-(oxolan-2-ylmethyl)-4-phenylbutanamide (CID 104984220) is (2S)-2-amino-N-ethyl-N-(oxolan-2-ylmethyl)-4-phenylbutanamide.
What is the SMILES notation for (2S)-2-amino-N-ethyl-N-(oxolan-2-ylmethyl)-4-phenylbutanamide?
The canonical SMILES for (2S)-2-amino-N-ethyl-N-(oxolan-2-ylmethyl)-4-phenylbutanamide is CCN(CC1CCCO1)C(=O)[C@@H](N)CCc1ccccc1.
What is the InChIKey of (2S)-2-amino-N-ethyl-N-(oxolan-2-ylmethyl)-4-phenylbutanamide?
The InChIKey is YGPDHRTUHAMFIU-LYKKTTPLSA-N. The full InChI is InChI=1S/C17H26N2O2/c1-2-19(13-15-9-6-12-21-15)17(20)16(18)11-10-14-7-4-3-5-8-14/h3-5,7-8,15-16H,2,6,9-13,18H2,1H3/t15?,16-/m0/s1.
What are the key properties of (2S)-2-amino-N-ethyl-N-(oxolan-2-ylmethyl)-4-phenylbutanamide?
(2S)-2-amino-N-ethyl-N-(oxolan-2-ylmethyl)-4-phenylbutanamide has a molecular weight of 290.41 g/mol, XLogP of 1.97, 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-2-ylmethyl)-4-phenylbutanamide is sourced from PubChem (CID 104984220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).