(2S)-N-[4-ethoxy-3-(hydroxymethyl)phenyl]oxolane-2-carboxamide

C14H19NO4 — CID 93441465

IUPAC(2S)-N-[4-ethoxy-3-(hydroxymethyl)phenyl]oxolane-2-carboxamide
SMILESCCOc1ccc(NC(=O)[C@@H]2CCCO2)cc1CO
InChIInChI=1S/C14H19NO4/c1-2-18-12-6-5-11(8-10(12)9-16)15-14(17)13-4-3-7-19-13/h5-6,8,13,16H,2-4,7,9H2,1H3,(H,15,17)/t13-/m0/s1
InChIKeyRGZNNJGVFVKKQM-ZDUSSCGKSA-N
MW265.31 g/mol
LogP1.70
Rot. Bonds5

About (2S)-N-[4-ethoxy-3-(hydroxymethyl)phenyl]oxolane-2-carboxamide

(2S)-N-[4-ethoxy-3-(hydroxymethyl)phenyl]oxolane-2-carboxamide (PubChem CID 93441465) has the molecular formula C14H19NO4 and a molecular weight of 265.31 g/mol. Its IUPAC name is (2S)-N-[4-ethoxy-3-(hydroxymethyl)phenyl]oxolane-2-carboxamide.

Molecular Properties

Compound Name(2S)-N-[4-ethoxy-3-(hydroxymethyl)phenyl]oxolane-2-carboxamide
PubChem CID93441465
Molecular FormulaC14H19NO4
Molecular Weight265.31 g/mol
Exact Mass265.13
IUPAC Name(2S)-N-[4-ethoxy-3-(hydroxymethyl)phenyl]oxolane-2-carboxamide
SMILESCCOc1ccc(NC(=O)[C@@H]2CCCO2)cc1CO
InChIInChI=1S/C14H19NO4/c1-2-18-12-6-5-11(8-10(12)9-16)15-14(17)13-4-3-7-19-13/h5-6,8,13,16H,2-4,7,9H2,1H3,(H,15,17)/t13-/m0/s1
InChIKeyRGZNNJGVFVKKQM-ZDUSSCGKSA-N
XLogP1.70
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-ethoxy-3-(hydroxymethyl)phenyl]-2-(oxolan-2-yl)acetamide
CID 65155965
N-[4-ethoxy-3-(hydroxymethyl)phenyl]-5-methyloxolane-2-carboxamide
CID 81329971
N-[3-[[(3,4,5-triethoxybenzoyl)amino]carbamoyl]phenyl]oxolane-2-carboxamide
CID 46642904
N-[3-[(2-ethoxyphenyl)carbamoyl]phenyl]oxolane-2-carboxamide
CID 42943946
N-[3-[(4-ethoxyphenyl)sulfamoyl]-4-methoxyphenyl]oxolane-2-carboxamide
CID 43007147
(1S,6S)-6-[[4-ethoxy-3-(hydroxymethyl)phenyl]carbamoyl]cyclohex-3-ene-1-carboxylic acid
CID 94381179
N-[4-ethoxy-3-(hydroxymethyl)phenyl]propanamide
CID 61015482
ethyl N-[2-methoxy-4-(oxolane-2-carbonylamino)phenyl]carbamate
CID 5305676
(2S)-N'-(3,4-diethoxybenzoyl)oxolane-2-carbohydrazide
CID 912755
N-(3-tert-butyl-4-methoxyphenyl)oxolane-2-carboxamide
CID 110776693
N-[3-(aminomethyl)-4-ethoxyphenyl]-2-(oxolan-2-yl)acetamide
CID 65159293
ethyl N-[4-ethoxy-3-(hydroxymethyl)phenyl]carbamate
CID 54903026

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[4-ethoxy-3-(hydroxymethyl)phenyl]oxolane-2-carboxamide?
The IUPAC name of (2S)-N-[4-ethoxy-3-(hydroxymethyl)phenyl]oxolane-2-carboxamide (CID 93441465) is (2S)-N-[4-ethoxy-3-(hydroxymethyl)phenyl]oxolane-2-carboxamide.
What is the SMILES notation for (2S)-N-[4-ethoxy-3-(hydroxymethyl)phenyl]oxolane-2-carboxamide?
The canonical SMILES for (2S)-N-[4-ethoxy-3-(hydroxymethyl)phenyl]oxolane-2-carboxamide is CCOc1ccc(NC(=O)[C@@H]2CCCO2)cc1CO.
What is the InChIKey of (2S)-N-[4-ethoxy-3-(hydroxymethyl)phenyl]oxolane-2-carboxamide?
The InChIKey is RGZNNJGVFVKKQM-ZDUSSCGKSA-N. The full InChI is InChI=1S/C14H19NO4/c1-2-18-12-6-5-11(8-10(12)9-16)15-14(17)13-4-3-7-19-13/h5-6,8,13,16H,2-4,7,9H2,1H3,(H,15,17)/t13-/m0/s1.
What are the key properties of (2S)-N-[4-ethoxy-3-(hydroxymethyl)phenyl]oxolane-2-carboxamide?
(2S)-N-[4-ethoxy-3-(hydroxymethyl)phenyl]oxolane-2-carboxamide has a molecular weight of 265.31 g/mol, XLogP of 1.70, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[4-ethoxy-3-(hydroxymethyl)phenyl]oxolane-2-carboxamide is sourced from PubChem (CID 93441465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).