(2S)-N-[(3-chlorophenyl)methyl]-N-(2-hydroxyethyl)oxolane-2-carboxamide

C14H18ClNO3 — CID 91662725

IUPAC(2S)-N-[(3-chlorophenyl)methyl]-N-(2-hydroxyethyl)oxolane-2-carboxamide
SMILESO=C([C@@H]1CCCO1)N(CCO)Cc1cccc(Cl)c1
InChIInChI=1S/C14H18ClNO3/c15-12-4-1-3-11(9-12)10-16(6-7-17)14(18)13-5-2-8-19-13/h1,3-4,9,13,17H,2,5-8,10H2/t13-/m0/s1
InChIKeyYUPCPCBLVSWPFX-ZDUSSCGKSA-N
MW283.75 g/mol
LogP1.84
Rot. Bonds5

About (2S)-N-[(3-chlorophenyl)methyl]-N-(2-hydroxyethyl)oxolane-2-carboxamide

(2S)-N-[(3-chlorophenyl)methyl]-N-(2-hydroxyethyl)oxolane-2-carboxamide (PubChem CID 91662725) has the molecular formula C14H18ClNO3 and a molecular weight of 283.75 g/mol. Its IUPAC name is (2S)-N-[(3-chlorophenyl)methyl]-N-(2-hydroxyethyl)oxolane-2-carboxamide.

Molecular Properties

Compound Name(2S)-N-[(3-chlorophenyl)methyl]-N-(2-hydroxyethyl)oxolane-2-carboxamide
PubChem CID91662725
Molecular FormulaC14H18ClNO3
Molecular Weight283.75 g/mol
Exact Mass283.10
IUPAC Name(2S)-N-[(3-chlorophenyl)methyl]-N-(2-hydroxyethyl)oxolane-2-carboxamide
SMILESO=C([C@@H]1CCCO1)N(CCO)Cc1cccc(Cl)c1
InChIInChI=1S/C14H18ClNO3/c15-12-4-1-3-11(9-12)10-16(6-7-17)14(18)13-5-2-8-19-13/h1,3-4,9,13,17H,2,5-8,10H2/t13-/m0/s1
InChIKeyYUPCPCBLVSWPFX-ZDUSSCGKSA-N
XLogP1.84
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.75
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3-chlorophenyl)methyl]oxolane-2-carboxamide
CID 2971265
(2R)-N-benzyl-N-(3,3,3-trifluoropropyl)oxolane-2-carboxamide
CID 99834856
2-[(4-chlorophenyl)methyl-(oxolane-2-carbonyl)amino]acetic acid
CID 119193651
N-(1,3-benzodioxol-5-ylmethyl)-N-butyloxolane-2-carboxamide
CID 42778185
tert-butyl N-[(3-chlorophenyl)methyl]-N-(2-hydroxyethyl)carbamate
CID 25209043
4-acetyl-N-[(3-chlorophenyl)methyl]-N-[2-(prop-2-enoylamino)ethyl]morpholine-2-carboxamide
CID 154875459
N-(2-phenylethyl)-N-(quinolin-2-ylmethyl)oxolane-2-carboxamide
CID 42789365
(2S)-N-(2-amino-2-oxoethyl)-N-[(4-phenylphenyl)methyl]oxolane-2-carboxamide
CID 94537928
N-benzyl-1-(2,5-dichlorobenzoyl)-N-(2-hydroxyethyl)pyrrolidine-2-carboxamide
CID 78860043
N-[(3-chlorophenyl)methyl]-2-[cyclobutyl(2-hydroxyethyl)amino]-N-methylacetamide
CID 102677225
N-[(3,4-dimethoxyphenyl)methyl]-N-ethyloxolane-2-carboxamide
CID 78808324
N-[[3-[2-(dimethylamino)ethoxy]phenyl]methyl]-N-(pyridin-2-ylmethyl)oxolane-2-carboxamide
CID 45169703

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[(3-chlorophenyl)methyl]-N-(2-hydroxyethyl)oxolane-2-carboxamide?
The IUPAC name of (2S)-N-[(3-chlorophenyl)methyl]-N-(2-hydroxyethyl)oxolane-2-carboxamide (CID 91662725) is (2S)-N-[(3-chlorophenyl)methyl]-N-(2-hydroxyethyl)oxolane-2-carboxamide.
What is the SMILES notation for (2S)-N-[(3-chlorophenyl)methyl]-N-(2-hydroxyethyl)oxolane-2-carboxamide?
The canonical SMILES for (2S)-N-[(3-chlorophenyl)methyl]-N-(2-hydroxyethyl)oxolane-2-carboxamide is O=C([C@@H]1CCCO1)N(CCO)Cc1cccc(Cl)c1.
What is the InChIKey of (2S)-N-[(3-chlorophenyl)methyl]-N-(2-hydroxyethyl)oxolane-2-carboxamide?
The InChIKey is YUPCPCBLVSWPFX-ZDUSSCGKSA-N. The full InChI is InChI=1S/C14H18ClNO3/c15-12-4-1-3-11(9-12)10-16(6-7-17)14(18)13-5-2-8-19-13/h1,3-4,9,13,17H,2,5-8,10H2/t13-/m0/s1.
What are the key properties of (2S)-N-[(3-chlorophenyl)methyl]-N-(2-hydroxyethyl)oxolane-2-carboxamide?
(2S)-N-[(3-chlorophenyl)methyl]-N-(2-hydroxyethyl)oxolane-2-carboxamide has a molecular weight of 283.75 g/mol, XLogP of 1.84, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[(3-chlorophenyl)methyl]-N-(2-hydroxyethyl)oxolane-2-carboxamide is sourced from PubChem (CID 91662725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).