N-[(3S)-2-oxooxolan-3-yl]-4-phenylbutanamide

C14H17NO3 — CID 11550533

IUPACN-[(3S)-2-oxooxolan-3-yl]-4-phenylbutanamide
SMILESO=C(CCCc1ccccc1)N[C@H]1CCOC1=O
InChIInChI=1S/C14H17NO3/c16-13(15-12-9-10-18-14(12)17)8-4-7-11-5-2-1-3-6-11/h1-3,5-6,12H,4,7-10H2,(H,15,16)/t12-/m0/s1
InChIKeyFBUYEVACKSZURO-LBPRGKRZSA-N
MW247.29 g/mol
LogP1.44
Rot. Bonds5

About N-[(3S)-2-oxooxolan-3-yl]-4-phenylbutanamide

N-[(3S)-2-oxooxolan-3-yl]-4-phenylbutanamide (PubChem CID 11550533) has the molecular formula C14H17NO3 and a molecular weight of 247.29 g/mol. Its IUPAC name is N-[(3S)-2-oxooxolan-3-yl]-4-phenylbutanamide.

Molecular Properties

Compound NameN-[(3S)-2-oxooxolan-3-yl]-4-phenylbutanamide
PubChem CID11550533
Molecular FormulaC14H17NO3
Molecular Weight247.29 g/mol
Exact Mass247.12
IUPAC NameN-[(3S)-2-oxooxolan-3-yl]-4-phenylbutanamide
SMILESO=C(CCCc1ccccc1)N[C@H]1CCOC1=O
InChIInChI=1S/C14H17NO3/c16-13(15-12-9-10-18-14(12)17)8-4-7-11-5-2-1-3-6-11/h1-3,5-6,12H,4,7-10H2,(H,15,16)/t12-/m0/s1
InChIKeyFBUYEVACKSZURO-LBPRGKRZSA-N
XLogP1.44
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.29
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(3S)-2-oxooxolan-3-yl]-4-phenylbutanamide?
The IUPAC name of N-[(3S)-2-oxooxolan-3-yl]-4-phenylbutanamide (CID 11550533) is N-[(3S)-2-oxooxolan-3-yl]-4-phenylbutanamide.
What is the SMILES notation for N-[(3S)-2-oxooxolan-3-yl]-4-phenylbutanamide?
The canonical SMILES for N-[(3S)-2-oxooxolan-3-yl]-4-phenylbutanamide is O=C(CCCc1ccccc1)N[C@H]1CCOC1=O.
What is the InChIKey of N-[(3S)-2-oxooxolan-3-yl]-4-phenylbutanamide?
The InChIKey is FBUYEVACKSZURO-LBPRGKRZSA-N. The full InChI is InChI=1S/C14H17NO3/c16-13(15-12-9-10-18-14(12)17)8-4-7-11-5-2-1-3-6-11/h1-3,5-6,12H,4,7-10H2,(H,15,16)/t12-/m0/s1.
What are the key properties of N-[(3S)-2-oxooxolan-3-yl]-4-phenylbutanamide?
N-[(3S)-2-oxooxolan-3-yl]-4-phenylbutanamide has a molecular weight of 247.29 g/mol, XLogP of 1.44, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S)-2-oxooxolan-3-yl]-4-phenylbutanamide is sourced from PubChem (CID 11550533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).