(2R)-N-[(3S)-3-(hydroxymethyl)oxolan-3-yl]-2-phenylbutanamide

C15H21NO3 — CID 124625975

IUPAC(2R)-N-[(3S)-3-(hydroxymethyl)oxolan-3-yl]-2-phenylbutanamide
SMILESCC[C@@H](C(=O)N[C@]1(CO)CCOC1)c1ccccc1
InChIInChI=1S/C15H21NO3/c1-2-13(12-6-4-3-5-7-12)14(18)16-15(10-17)8-9-19-11-15/h3-7,13,17H,2,8-11H2,1H3,(H,16,18)/t13-,15+/m1/s1
InChIKeyMLFGOZJYEDZCGA-HIFRSBDPSA-N
MW263.34 g/mol
LogP1.45
Rot. Bonds5

About (2R)-N-[(3S)-3-(hydroxymethyl)oxolan-3-yl]-2-phenylbutanamide

(2R)-N-[(3S)-3-(hydroxymethyl)oxolan-3-yl]-2-phenylbutanamide (PubChem CID 124625975) has the molecular formula C15H21NO3 and a molecular weight of 263.34 g/mol. Its IUPAC name is (2R)-N-[(3S)-3-(hydroxymethyl)oxolan-3-yl]-2-phenylbutanamide.

Molecular Properties

Compound Name(2R)-N-[(3S)-3-(hydroxymethyl)oxolan-3-yl]-2-phenylbutanamide
PubChem CID124625975
Molecular FormulaC15H21NO3
Molecular Weight263.34 g/mol
Exact Mass263.15
IUPAC Name(2R)-N-[(3S)-3-(hydroxymethyl)oxolan-3-yl]-2-phenylbutanamide
SMILESCC[C@@H](C(=O)N[C@]1(CO)CCOC1)c1ccccc1
InChIInChI=1S/C15H21NO3/c1-2-13(12-6-4-3-5-7-12)14(18)16-15(10-17)8-9-19-11-15/h3-7,13,17H,2,8-11H2,1H3,(H,16,18)/t13-,15+/m1/s1
InChIKeyMLFGOZJYEDZCGA-HIFRSBDPSA-N
XLogP1.45
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 51.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-N-[(3R)-3-(hydroxymethyl)oxolan-3-yl]-2-phenylbutanamide
CID 124625977
N-[1-(aminomethyl)cyclohexyl]-2-phenylbutanamide
CID 63754584
(2-phenylbutanoylamino)urea
CID 63946462
2-amino-N-[4-(hydroxymethyl)oxan-4-yl]butanamide
CID 106298521
N-[3-(hydroxymethyl)oxolan-3-yl]-2,2-dimethylpropanamide
CID 130949339
N-(2-bromoethyl)-2-phenylbutanamide
CID 4632577
N-[(1-hydroxycyclobutyl)methyl]-2-phenylbutanamide
CID 115643598
9H-fluoren-9-ylmethyl N-[3-(hydroxymethyl)oxolan-3-yl]carbamate
CID 130950344
N-[3-(hydroxymethyl)oxolan-3-yl]-2-propan-2-yl-1H-pyrrole-3-carboxamide
CID 154757540
(2R)-2-amino-N-[[4-(1-phenylethylamino)oxan-4-yl]methyl]propanamide;dihydrochloride
CID 119888303
(2R)-2-phenyl-N-(2-phenylphenyl)butanamide
CID 1328236
N-[[1-(2-chloroethyl)cyclopropyl]methyl]-2-phenylbutanamide
CID 114757941

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[(3S)-3-(hydroxymethyl)oxolan-3-yl]-2-phenylbutanamide?
The IUPAC name of (2R)-N-[(3S)-3-(hydroxymethyl)oxolan-3-yl]-2-phenylbutanamide (CID 124625975) is (2R)-N-[(3S)-3-(hydroxymethyl)oxolan-3-yl]-2-phenylbutanamide.
What is the SMILES notation for (2R)-N-[(3S)-3-(hydroxymethyl)oxolan-3-yl]-2-phenylbutanamide?
The canonical SMILES for (2R)-N-[(3S)-3-(hydroxymethyl)oxolan-3-yl]-2-phenylbutanamide is CC[C@@H](C(=O)N[C@]1(CO)CCOC1)c1ccccc1.
What is the InChIKey of (2R)-N-[(3S)-3-(hydroxymethyl)oxolan-3-yl]-2-phenylbutanamide?
The InChIKey is MLFGOZJYEDZCGA-HIFRSBDPSA-N. The full InChI is InChI=1S/C15H21NO3/c1-2-13(12-6-4-3-5-7-12)14(18)16-15(10-17)8-9-19-11-15/h3-7,13,17H,2,8-11H2,1H3,(H,16,18)/t13-,15+/m1/s1.
What are the key properties of (2R)-N-[(3S)-3-(hydroxymethyl)oxolan-3-yl]-2-phenylbutanamide?
(2R)-N-[(3S)-3-(hydroxymethyl)oxolan-3-yl]-2-phenylbutanamide has a molecular weight of 263.34 g/mol, XLogP of 1.45, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[(3S)-3-(hydroxymethyl)oxolan-3-yl]-2-phenylbutanamide is sourced from PubChem (CID 124625975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).