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

C14H17NO4 — CID 44581745

IUPAC3-(4-methoxyphenyl)-N-[(3S)-2-oxooxolan-3-yl]propanamide
SMILESCOc1ccc(CCC(=O)N[C@H]2CCOC2=O)cc1
InChIInChI=1S/C14H17NO4/c1-18-11-5-2-10(3-6-11)4-7-13(16)15-12-8-9-19-14(12)17/h2-3,5-6,12H,4,7-9H2,1H3,(H,15,16)/t12-/m0/s1
InChIKeyQAKARXVCYXRTOG-LBPRGKRZSA-N
MW263.29 g/mol
LogP1.06
Rot. Bonds5

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

3-(4-methoxyphenyl)-N-[(3S)-2-oxooxolan-3-yl]propanamide (PubChem CID 44581745) has the molecular formula C14H17NO4 and a molecular weight of 263.29 g/mol. Its IUPAC name is 3-(4-methoxyphenyl)-N-[(3S)-2-oxooxolan-3-yl]propanamide.

Molecular Properties

Compound Name3-(4-methoxyphenyl)-N-[(3S)-2-oxooxolan-3-yl]propanamide
PubChem CID44581745
Molecular FormulaC14H17NO4
Molecular Weight263.29 g/mol
Exact Mass263.12
IUPAC Name3-(4-methoxyphenyl)-N-[(3S)-2-oxooxolan-3-yl]propanamide
SMILESCOc1ccc(CCC(=O)N[C@H]2CCOC2=O)cc1
InChIInChI=1S/C14H17NO4/c1-18-11-5-2-10(3-6-11)4-7-13(16)15-12-8-9-19-14(12)17/h2-3,5-6,12H,4,7-9H2,1H3,(H,15,16)/t12-/m0/s1
InChIKeyQAKARXVCYXRTOG-LBPRGKRZSA-N
XLogP1.06
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.29
LogP ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(4-methoxyphenyl)-N-[(3S)-2-oxooxolan-3-yl]propanamide?
The IUPAC name of 3-(4-methoxyphenyl)-N-[(3S)-2-oxooxolan-3-yl]propanamide (CID 44581745) is 3-(4-methoxyphenyl)-N-[(3S)-2-oxooxolan-3-yl]propanamide.
What is the SMILES notation for 3-(4-methoxyphenyl)-N-[(3S)-2-oxooxolan-3-yl]propanamide?
The canonical SMILES for 3-(4-methoxyphenyl)-N-[(3S)-2-oxooxolan-3-yl]propanamide is COc1ccc(CCC(=O)N[C@H]2CCOC2=O)cc1.
What is the InChIKey of 3-(4-methoxyphenyl)-N-[(3S)-2-oxooxolan-3-yl]propanamide?
The InChIKey is QAKARXVCYXRTOG-LBPRGKRZSA-N. The full InChI is InChI=1S/C14H17NO4/c1-18-11-5-2-10(3-6-11)4-7-13(16)15-12-8-9-19-14(12)17/h2-3,5-6,12H,4,7-9H2,1H3,(H,15,16)/t12-/m0/s1.
What are the key properties of 3-(4-methoxyphenyl)-N-[(3S)-2-oxooxolan-3-yl]propanamide?
3-(4-methoxyphenyl)-N-[(3S)-2-oxooxolan-3-yl]propanamide has a molecular weight of 263.29 g/mol, XLogP of 1.06, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methoxyphenyl)-N-[(3S)-2-oxooxolan-3-yl]propanamide is sourced from PubChem (CID 44581745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).