(2S)-2-amino-N-[2-(oxolan-2-yl)ethyl]-4-phenylbutanamide

C16H24N2O2 — CID 104984102

IUPAC(2S)-2-amino-N-[2-(oxolan-2-yl)ethyl]-4-phenylbutanamide
SMILESN[C@@H](CCc1ccccc1)C(=O)NCCC1CCCO1
InChIInChI=1S/C16H24N2O2/c17-15(9-8-13-5-2-1-3-6-13)16(19)18-11-10-14-7-4-12-20-14/h1-3,5-6,14-15H,4,7-12,17H2,(H,18,19)/t14?,15-/m0/s1
InChIKeyZUXYVIZONKBDOP-LOACHALJSA-N
MW276.38 g/mol
LogP1.63
Rot. Bonds7

About (2S)-2-amino-N-[2-(oxolan-2-yl)ethyl]-4-phenylbutanamide

(2S)-2-amino-N-[2-(oxolan-2-yl)ethyl]-4-phenylbutanamide (PubChem CID 104984102) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is (2S)-2-amino-N-[2-(oxolan-2-yl)ethyl]-4-phenylbutanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-[2-(oxolan-2-yl)ethyl]-4-phenylbutanamide
PubChem CID104984102
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC Name(2S)-2-amino-N-[2-(oxolan-2-yl)ethyl]-4-phenylbutanamide
SMILESN[C@@H](CCc1ccccc1)C(=O)NCCC1CCCO1
InChIInChI=1S/C16H24N2O2/c17-15(9-8-13-5-2-1-3-6-13)16(19)18-11-10-14-7-4-12-20-14/h1-3,5-6,14-15H,4,7-12,17H2,(H,18,19)/t14?,15-/m0/s1
InChIKeyZUXYVIZONKBDOP-LOACHALJSA-N
XLogP1.63
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-amino-N-[2-(oxolan-2-yl)ethyl]pentanamide
CID 107569103
(2R)-2-amino-N-[2-(oxolan-2-yl)ethyl]pentanamide
CID 103794477
(3S)-3-amino-4-oxo-4-[2-(oxolan-2-yl)ethylamino]butanoic acid
CID 67894474
1-N-[2-(oxolan-2-yl)ethyl]-4-phenylbutane-1,2-diamine
CID 114929660
3-amino-N-[2-(oxolan-2-yl)ethyl]-2-phenylpropanamide
CID 62878363
2-amino-N-[1-(oxolan-2-yl)ethyl]-4-phenylbutanamide
CID 114925311
(2S)-2-amino-N-ethyl-N-(oxolan-2-ylmethyl)-4-phenylbutanamide
CID 104984220
2-amino-3-methoxy-N-[2-(oxolan-2-yl)ethyl]propanamide
CID 81089453
2-amino-N-[2-(oxolan-2-yl)ethyl]-2-thiophen-2-ylacetamide
CID 115286809
2-amino-N-[2-(carbamoylamino)ethyl]-4-phenylbutanamide
CID 114929288
[1-(oxolan-2-yl)-7-phenylheptan-4-yl]hydrazine
CID 105314154
(2S)-2-amino-N-(2-morpholin-4-ylethyl)-4-phenylbutanamide
CID 104983793

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-[2-(oxolan-2-yl)ethyl]-4-phenylbutanamide?
The IUPAC name of (2S)-2-amino-N-[2-(oxolan-2-yl)ethyl]-4-phenylbutanamide (CID 104984102) is (2S)-2-amino-N-[2-(oxolan-2-yl)ethyl]-4-phenylbutanamide.
What is the SMILES notation for (2S)-2-amino-N-[2-(oxolan-2-yl)ethyl]-4-phenylbutanamide?
The canonical SMILES for (2S)-2-amino-N-[2-(oxolan-2-yl)ethyl]-4-phenylbutanamide is N[C@@H](CCc1ccccc1)C(=O)NCCC1CCCO1.
What is the InChIKey of (2S)-2-amino-N-[2-(oxolan-2-yl)ethyl]-4-phenylbutanamide?
The InChIKey is ZUXYVIZONKBDOP-LOACHALJSA-N. The full InChI is InChI=1S/C16H24N2O2/c17-15(9-8-13-5-2-1-3-6-13)16(19)18-11-10-14-7-4-12-20-14/h1-3,5-6,14-15H,4,7-12,17H2,(H,18,19)/t14?,15-/m0/s1.
What are the key properties of (2S)-2-amino-N-[2-(oxolan-2-yl)ethyl]-4-phenylbutanamide?
(2S)-2-amino-N-[2-(oxolan-2-yl)ethyl]-4-phenylbutanamide has a molecular weight of 276.38 g/mol, XLogP of 1.63, 7 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-(oxolan-2-yl)ethyl]-4-phenylbutanamide is sourced from PubChem (CID 104984102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).