(3S)-N-[(1R,2S)-1-(4-chlorophenyl)-1-methoxypropan-2-yl]oxolane-3-carboxamide

C15H20ClNO3 — CID 129377879

IUPAC(3S)-N-[(1R,2S)-1-(4-chlorophenyl)-1-methoxypropan-2-yl]oxolane-3-carboxamide
SMILESCO[C@H](c1ccc(Cl)cc1)[C@H](C)NC(=O)[C@H]1CCOC1
InChIInChI=1S/C15H20ClNO3/c1-10(17-15(18)12-7-8-20-9-12)14(19-2)11-3-5-13(16)6-4-11/h3-6,10,12,14H,7-9H2,1-2H3,(H,17,18)/t10-,12-,14-/m0/s1
InChIKeyASGUTWHYLPVFQA-JKOKRWQUSA-N
MW297.78 g/mol
LogP2.57
Rot. Bonds5

About (3S)-N-[(1R,2S)-1-(4-chlorophenyl)-1-methoxypropan-2-yl]oxolane-3-carboxamide

(3S)-N-[(1R,2S)-1-(4-chlorophenyl)-1-methoxypropan-2-yl]oxolane-3-carboxamide (PubChem CID 129377879) has the molecular formula C15H20ClNO3 and a molecular weight of 297.78 g/mol. Its IUPAC name is (3S)-N-[(1R,2S)-1-(4-chlorophenyl)-1-methoxypropan-2-yl]oxolane-3-carboxamide.

Molecular Properties

Compound Name(3S)-N-[(1R,2S)-1-(4-chlorophenyl)-1-methoxypropan-2-yl]oxolane-3-carboxamide
PubChem CID129377879
Molecular FormulaC15H20ClNO3
Molecular Weight297.78 g/mol
Exact Mass297.11
IUPAC Name(3S)-N-[(1R,2S)-1-(4-chlorophenyl)-1-methoxypropan-2-yl]oxolane-3-carboxamide
SMILESCO[C@H](c1ccc(Cl)cc1)[C@H](C)NC(=O)[C@H]1CCOC1
InChIInChI=1S/C15H20ClNO3/c1-10(17-15(18)12-7-8-20-9-12)14(19-2)11-3-5-13(16)6-4-11/h3-6,10,12,14H,7-9H2,1-2H3,(H,17,18)/t10-,12-,14-/m0/s1
InChIKeyASGUTWHYLPVFQA-JKOKRWQUSA-N
XLogP2.57
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.78
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (3S)-N-[(1R,2S)-1-(4-chlorophenyl)-1-methoxypropan-2-yl]oxolane-3-carboxamide with MolForge

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Related Compounds

(3R)-N-[bis(4-methoxyphenyl)methyl]oxolane-3-carboxamide
CID 95275632
methyl (2S)-2-(4-chloro-3-fluorophenyl)-2-[[(3R)-oxolane-3-carbonyl]amino]acetate
CID 124514051
2-amino-N-[1-(4-chlorophenyl)-1-methoxypropan-2-yl]-2-(4-methylphenyl)acetamide;hydrochloride
CID 120668651
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[1-(4-chlorophenyl)-1-methoxypropan-2-yl]acetamide
CID 119794059
(3S)-N-[(1S)-1-[4-(trifluoromethoxy)phenyl]ethyl]oxolane-3-carboxamide
CID 94824757
N-[1-(4-sulfamoylphenyl)ethyl]oxolane-3-carboxamide
CID 47364042
(2S,4S)-N-[1-(4-fluorophenyl)-1-methoxypropan-2-yl]-2-methylpiperidine-4-carboxamide;hydrochloride
CID 120641101
(3R)-N-(2,4-dimethylpentan-3-yl)oxolane-3-carboxamide
CID 169193374
3-amino-N-[1-(4-chlorophenyl)-1-methoxypropan-2-yl]-2-methyl-3-phenylpropanamide;hydrochloride
CID 119794046
3-[[1-(4-chlorophenyl)-1-methoxypropan-2-yl]carbamoylamino]propanoic acid
CID 122002849
N-(4-chloro-2-iodophenyl)oxolane-3-carboxamide
CID 103766842
(3R)-N-[(S)-(4-tert-butylphenyl)-cyanomethyl]oxolane-3-carboxamide
CID 95617394

Frequently Asked Questions

What is the IUPAC name of (3S)-N-[(1R,2S)-1-(4-chlorophenyl)-1-methoxypropan-2-yl]oxolane-3-carboxamide?
The IUPAC name of (3S)-N-[(1R,2S)-1-(4-chlorophenyl)-1-methoxypropan-2-yl]oxolane-3-carboxamide (CID 129377879) is (3S)-N-[(1R,2S)-1-(4-chlorophenyl)-1-methoxypropan-2-yl]oxolane-3-carboxamide.
What is the SMILES notation for (3S)-N-[(1R,2S)-1-(4-chlorophenyl)-1-methoxypropan-2-yl]oxolane-3-carboxamide?
The canonical SMILES for (3S)-N-[(1R,2S)-1-(4-chlorophenyl)-1-methoxypropan-2-yl]oxolane-3-carboxamide is CO[C@H](c1ccc(Cl)cc1)[C@H](C)NC(=O)[C@H]1CCOC1.
What is the InChIKey of (3S)-N-[(1R,2S)-1-(4-chlorophenyl)-1-methoxypropan-2-yl]oxolane-3-carboxamide?
The InChIKey is ASGUTWHYLPVFQA-JKOKRWQUSA-N. The full InChI is InChI=1S/C15H20ClNO3/c1-10(17-15(18)12-7-8-20-9-12)14(19-2)11-3-5-13(16)6-4-11/h3-6,10,12,14H,7-9H2,1-2H3,(H,17,18)/t10-,12-,14-/m0/s1.
What are the key properties of (3S)-N-[(1R,2S)-1-(4-chlorophenyl)-1-methoxypropan-2-yl]oxolane-3-carboxamide?
(3S)-N-[(1R,2S)-1-(4-chlorophenyl)-1-methoxypropan-2-yl]oxolane-3-carboxamide has a molecular weight of 297.78 g/mol, XLogP of 2.57, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-[(1R,2S)-1-(4-chlorophenyl)-1-methoxypropan-2-yl]oxolane-3-carboxamide is sourced from PubChem (CID 129377879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).