(3S)-N-benzyl-4-hydroxy-3-(oxan-2-yloxy)butanamide

C16H23NO4 — CID 139705725

IUPAC(3S)-N-benzyl-4-hydroxy-3-(oxan-2-yloxy)butanamide
SMILESO=C(C[C@@H](CO)OC1CCCCO1)NCc1ccccc1
InChIInChI=1S/C16H23NO4/c18-12-14(21-16-8-4-5-9-20-16)10-15(19)17-11-13-6-2-1-3-7-13/h1-3,6-7,14,16,18H,4-5,8-12H2,(H,17,19)/t14-,16?/m0/s1
InChIKeyBVCZFHSPYHNIKQ-LBAUFKAWSA-N
MW293.36 g/mol
LogP1.60
Rot. Bonds7

About (3S)-N-benzyl-4-hydroxy-3-(oxan-2-yloxy)butanamide

(3S)-N-benzyl-4-hydroxy-3-(oxan-2-yloxy)butanamide (PubChem CID 139705725) has the molecular formula C16H23NO4 and a molecular weight of 293.36 g/mol. Its IUPAC name is (3S)-N-benzyl-4-hydroxy-3-(oxan-2-yloxy)butanamide.

Molecular Properties

Compound Name(3S)-N-benzyl-4-hydroxy-3-(oxan-2-yloxy)butanamide
PubChem CID139705725
Molecular FormulaC16H23NO4
Molecular Weight293.36 g/mol
Exact Mass293.16
IUPAC Name(3S)-N-benzyl-4-hydroxy-3-(oxan-2-yloxy)butanamide
SMILESO=C(C[C@@H](CO)OC1CCCCO1)NCc1ccccc1
InChIInChI=1S/C16H23NO4/c18-12-14(21-16-8-4-5-9-20-16)10-15(19)17-11-13-6-2-1-3-7-13/h1-3,6-7,14,16,18H,4-5,8-12H2,(H,17,19)/t14-,16?/m0/s1
InChIKeyBVCZFHSPYHNIKQ-LBAUFKAWSA-N
XLogP1.60
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.36
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-4-(benzylamino)-4-oxo-2-[(2R)-oxolan-2-yl]butanoic acid
CID 670915
benzyl 6-methyl-3-(oxan-2-yloxy)heptanoate
CID 10568752
methyl (2S)-2-(oxan-2-yloxy)-3-phenylpropanoate
CID 14804719
benzyl-[(2R,3R)-1-hydroxy-3-(oxan-2-yloxy)butan-2-yl]carbamic acid
CID 118237094
bis(oxan-2-yl) 2-benzylpropanedioate
CID 14723470
N-benzyl-2-(oxan-2-ylmethylamino)acetamide
CID 60971571
oxan-2-yl (2R)-2-hydroxy-3-phenylpropanoate
CID 131720683
(5S)-5-(oxan-2-yloxy)-6-phenylmethoxyhexan-1-ol
CID 10590934
(2S)-3-[3-(methoxymethyl)phenyl]-2-(oxan-2-yloxy)propan-1-ol
CID 15450471
oxan-2-yl 3-phenylpropanoate
CID 10609743
N-benzyl-3,4-dihydroxybutanamide
CID 69242116
methyl 2-[[(2R)-2-(oxan-2-yloxy)-3-phenylpropyl]-[(1R)-1-phenylethyl]amino]acetate
CID 68826511

Frequently Asked Questions

What is the IUPAC name of (3S)-N-benzyl-4-hydroxy-3-(oxan-2-yloxy)butanamide?
The IUPAC name of (3S)-N-benzyl-4-hydroxy-3-(oxan-2-yloxy)butanamide (CID 139705725) is (3S)-N-benzyl-4-hydroxy-3-(oxan-2-yloxy)butanamide.
What is the SMILES notation for (3S)-N-benzyl-4-hydroxy-3-(oxan-2-yloxy)butanamide?
The canonical SMILES for (3S)-N-benzyl-4-hydroxy-3-(oxan-2-yloxy)butanamide is O=C(C[C@@H](CO)OC1CCCCO1)NCc1ccccc1.
What is the InChIKey of (3S)-N-benzyl-4-hydroxy-3-(oxan-2-yloxy)butanamide?
The InChIKey is BVCZFHSPYHNIKQ-LBAUFKAWSA-N. The full InChI is InChI=1S/C16H23NO4/c18-12-14(21-16-8-4-5-9-20-16)10-15(19)17-11-13-6-2-1-3-7-13/h1-3,6-7,14,16,18H,4-5,8-12H2,(H,17,19)/t14-,16?/m0/s1.
What are the key properties of (3S)-N-benzyl-4-hydroxy-3-(oxan-2-yloxy)butanamide?
(3S)-N-benzyl-4-hydroxy-3-(oxan-2-yloxy)butanamide has a molecular weight of 293.36 g/mol, XLogP of 1.60, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-benzyl-4-hydroxy-3-(oxan-2-yloxy)butanamide is sourced from PubChem (CID 139705725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).