(2S)-N-[(1S)-1-(2-methoxy-5-methylphenyl)ethyl]oxolane-2-carboxamide

C15H21NO3 — CID 35412352

IUPAC(2S)-N-[(1S)-1-(2-methoxy-5-methylphenyl)ethyl]oxolane-2-carboxamide
SMILESCOc1ccc(C)cc1[C@H](C)NC(=O)[C@@H]1CCCO1
InChIInChI=1S/C15H21NO3/c1-10-6-7-13(18-3)12(9-10)11(2)16-15(17)14-5-4-8-19-14/h6-7,9,11,14H,4-5,8H2,1-3H3,(H,16,17)/t11-,14-/m0/s1
InChIKeyGZJGNJWHNDRPPG-FZMZJTMJSA-N
MW263.34 g/mol
LogP2.36
Rot. Bonds4

About (2S)-N-[(1S)-1-(2-methoxy-5-methylphenyl)ethyl]oxolane-2-carboxamide

(2S)-N-[(1S)-1-(2-methoxy-5-methylphenyl)ethyl]oxolane-2-carboxamide (PubChem CID 35412352) has the molecular formula C15H21NO3 and a molecular weight of 263.34 g/mol. Its IUPAC name is (2S)-N-[(1S)-1-(2-methoxy-5-methylphenyl)ethyl]oxolane-2-carboxamide.

Molecular Properties

Compound Name(2S)-N-[(1S)-1-(2-methoxy-5-methylphenyl)ethyl]oxolane-2-carboxamide
PubChem CID35412352
Molecular FormulaC15H21NO3
Molecular Weight263.34 g/mol
Exact Mass263.15
IUPAC Name(2S)-N-[(1S)-1-(2-methoxy-5-methylphenyl)ethyl]oxolane-2-carboxamide
SMILESCOc1ccc(C)cc1[C@H](C)NC(=O)[C@@H]1CCCO1
InChIInChI=1S/C15H21NO3/c1-10-6-7-13(18-3)12(9-10)11(2)16-15(17)14-5-4-8-19-14/h6-7,9,11,14H,4-5,8H2,1-3H3,(H,16,17)/t11-,14-/m0/s1
InChIKeyGZJGNJWHNDRPPG-FZMZJTMJSA-N
XLogP2.36
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-N-[(1S)-1-(2-methoxy-5-methylphenyl)ethyl]oxolane-2-carboxamide
CID 35412359
N-[(1S)-1-(2-methoxy-5-methylphenyl)ethyl]cyclobutanecarboxamide
CID 9262346
N-[1-(2-methoxy-5-methylphenyl)ethyl]piperidine-4-carboxamide
CID 43703441
(2S)-N-[1-(2-methoxy-5-methylphenyl)ethyl]pyrrolidine-2-carboxamide;hydrochloride
CID 119273007
(2S)-N-[(1R)-1-(2-methoxy-5-methylphenyl)ethyl]-5-oxopyrrolidine-2-carboxamide
CID 94875015
3-amino-N-[1-(2-methoxy-5-methylphenyl)ethyl]cyclohexane-1-carboxamide
CID 63043593
N-[1-(2-methoxy-5-methylphenyl)ethyl]-4-(oxolan-2-ylmethylsulfamoyl)benzamide
CID 55408917
4-hydroxy-N-[1-(2-methoxy-5-methylphenyl)ethyl]pyrrolidine-2-carboxamide
CID 43703463
N-[1-(2-methoxy-5-methylphenyl)ethyl]-2-(propan-2-ylamino)acetamide
CID 60842890
(2S)-N-[(1S)-1-phenylethyl]oxolane-2-carboxamide
CID 896917
2-chloro-N-[1-(2-methoxy-5-methylphenyl)ethyl]propanamide
CID 43697668
N-[1-(2-methoxy-5-methylphenyl)ethyl]-3,4-dimethylbenzamide
CID 84966349

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[(1S)-1-(2-methoxy-5-methylphenyl)ethyl]oxolane-2-carboxamide?
The IUPAC name of (2S)-N-[(1S)-1-(2-methoxy-5-methylphenyl)ethyl]oxolane-2-carboxamide (CID 35412352) is (2S)-N-[(1S)-1-(2-methoxy-5-methylphenyl)ethyl]oxolane-2-carboxamide.
What is the SMILES notation for (2S)-N-[(1S)-1-(2-methoxy-5-methylphenyl)ethyl]oxolane-2-carboxamide?
The canonical SMILES for (2S)-N-[(1S)-1-(2-methoxy-5-methylphenyl)ethyl]oxolane-2-carboxamide is COc1ccc(C)cc1[C@H](C)NC(=O)[C@@H]1CCCO1.
What is the InChIKey of (2S)-N-[(1S)-1-(2-methoxy-5-methylphenyl)ethyl]oxolane-2-carboxamide?
The InChIKey is GZJGNJWHNDRPPG-FZMZJTMJSA-N. The full InChI is InChI=1S/C15H21NO3/c1-10-6-7-13(18-3)12(9-10)11(2)16-15(17)14-5-4-8-19-14/h6-7,9,11,14H,4-5,8H2,1-3H3,(H,16,17)/t11-,14-/m0/s1.
What are the key properties of (2S)-N-[(1S)-1-(2-methoxy-5-methylphenyl)ethyl]oxolane-2-carboxamide?
(2S)-N-[(1S)-1-(2-methoxy-5-methylphenyl)ethyl]oxolane-2-carboxamide has a molecular weight of 263.34 g/mol, XLogP of 2.36, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[(1S)-1-(2-methoxy-5-methylphenyl)ethyl]oxolane-2-carboxamide is sourced from PubChem (CID 35412352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).