2-(2-chlorophenyl)-N-[(3R,4S)-3-hydroxy-4-methyl-1-oxa-9-azaspiro[5.5]undecan-4-yl]acetamide

C18H25ClN2O3 — CID 135118571

IUPAC2-(2-chlorophenyl)-N-[(3R,4S)-3-hydroxy-4-methyl-1-oxa-9-azaspiro[5.5]undecan-4-yl]acetamide
SMILESC[C@]1(NC(=O)Cc2ccccc2Cl)CC2(CCNCC2)OC[C@@H]1O
InChIInChI=1S/C18H25ClN2O3/c1-17(21-16(23)10-13-4-2-3-5-14(13)19)12-18(24-11-15(17)22)6-8-20-9-7-18/h2-5,15,20,22H,6-12H2,1H3,(H,21,23)/t15-,17-/m0/s1
InChIKeyGTMKKVGFJIXYEP-RDJZCZTQSA-N
MW352.86 g/mol
LogP1.66
Rot. Bonds3

About 2-(2-chlorophenyl)-N-[(3R,4S)-3-hydroxy-4-methyl-1-oxa-9-azaspiro[5.5]undecan-4-yl]acetamide

2-(2-chlorophenyl)-N-[(3R,4S)-3-hydroxy-4-methyl-1-oxa-9-azaspiro[5.5]undecan-4-yl]acetamide (PubChem CID 135118571) has the molecular formula C18H25ClN2O3 and a molecular weight of 352.86 g/mol. Its IUPAC name is 2-(2-chlorophenyl)-N-[(3R,4S)-3-hydroxy-4-methyl-1-oxa-9-azaspiro[5.5]undecan-4-yl]acetamide.

Molecular Properties

Compound Name2-(2-chlorophenyl)-N-[(3R,4S)-3-hydroxy-4-methyl-1-oxa-9-azaspiro[5.5]undecan-4-yl]acetamide
PubChem CID135118571
Molecular FormulaC18H25ClN2O3
Molecular Weight352.86 g/mol
Exact Mass352.16
IUPAC Name2-(2-chlorophenyl)-N-[(3R,4S)-3-hydroxy-4-methyl-1-oxa-9-azaspiro[5.5]undecan-4-yl]acetamide
SMILESC[C@]1(NC(=O)Cc2ccccc2Cl)CC2(CCNCC2)OC[C@@H]1O
InChIInChI=1S/C18H25ClN2O3/c1-17(21-16(23)10-13-4-2-3-5-14(13)19)12-18(24-11-15(17)22)6-8-20-9-7-18/h2-5,15,20,22H,6-12H2,1H3,(H,21,23)/t15-,17-/m0/s1
InChIKeyGTMKKVGFJIXYEP-RDJZCZTQSA-N
XLogP1.66
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.86
LogP ≤ 51.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(3R,4S)-3-hydroxy-4-methyl-1-oxa-9-azaspiro[5.5]undecan-4-yl]-5-phenyl-1,2-oxazole-3-carboxamide;hydrochloride
CID 154917894
N-[(3S,4R)-3-hydroxy-4-methyl-9-[2-(2-oxo-1-pyridinyl)acetyl]-1-oxa-9-azaspiro[5.5]undecan-4-yl]propanamide
CID 166614505
2-(2-chlorophenyl)-N-(3,3-dimethylcyclopentyl)acetamide
CID 113345428
N-[(2-chlorophenyl)methyl]-4-ethylpiperidine-4-carboxamide
CID 63127175
2-(2-chlorophenyl)-1-(4-propylpiperidin-4-yl)ethanone
CID 116569209
N-[(2-chlorophenyl)methyl]-3-methylpyrrolidine-3-carboxamide
CID 63140593
N-[(3R,4S)-3-hydroxy-4-methyl-9-[2-(methylamino)acetyl]-1-oxa-9-azaspiro[5.5]undecan-4-yl]-2-phenoxyacetamide;hydrochloride
CID 154916262
4-[[2-(2-chlorophenyl)acetyl]amino]oxane-4-carboxylic acid
CID 115291582
N-(1-carbamothioylcycloheptyl)-2-(2-chlorophenyl)acetamide
CID 61119572
2-(2-chlorophenyl)-1-(4-methyl-2,6,7-trioxabicyclo[2.2.2]octan-1-yl)ethanone
CID 162342905
2-(2-chlorophenyl)-1-(3-ethylpyrrolidin-3-yl)ethanone
CID 116570367
1-[[2-(2-chlorophenyl)acetyl]amino]-2-methylcyclohexane-1-carboxylic acid
CID 61294678

Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenyl)-N-[(3R,4S)-3-hydroxy-4-methyl-1-oxa-9-azaspiro[5.5]undecan-4-yl]acetamide?
The IUPAC name of 2-(2-chlorophenyl)-N-[(3R,4S)-3-hydroxy-4-methyl-1-oxa-9-azaspiro[5.5]undecan-4-yl]acetamide (CID 135118571) is 2-(2-chlorophenyl)-N-[(3R,4S)-3-hydroxy-4-methyl-1-oxa-9-azaspiro[5.5]undecan-4-yl]acetamide.
What is the SMILES notation for 2-(2-chlorophenyl)-N-[(3R,4S)-3-hydroxy-4-methyl-1-oxa-9-azaspiro[5.5]undecan-4-yl]acetamide?
The canonical SMILES for 2-(2-chlorophenyl)-N-[(3R,4S)-3-hydroxy-4-methyl-1-oxa-9-azaspiro[5.5]undecan-4-yl]acetamide is C[C@]1(NC(=O)Cc2ccccc2Cl)CC2(CCNCC2)OC[C@@H]1O.
What is the InChIKey of 2-(2-chlorophenyl)-N-[(3R,4S)-3-hydroxy-4-methyl-1-oxa-9-azaspiro[5.5]undecan-4-yl]acetamide?
The InChIKey is GTMKKVGFJIXYEP-RDJZCZTQSA-N. The full InChI is InChI=1S/C18H25ClN2O3/c1-17(21-16(23)10-13-4-2-3-5-14(13)19)12-18(24-11-15(17)22)6-8-20-9-7-18/h2-5,15,20,22H,6-12H2,1H3,(H,21,23)/t15-,17-/m0/s1.
What are the key properties of 2-(2-chlorophenyl)-N-[(3R,4S)-3-hydroxy-4-methyl-1-oxa-9-azaspiro[5.5]undecan-4-yl]acetamide?
2-(2-chlorophenyl)-N-[(3R,4S)-3-hydroxy-4-methyl-1-oxa-9-azaspiro[5.5]undecan-4-yl]acetamide has a molecular weight of 352.86 g/mol, XLogP of 1.66, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenyl)-N-[(3R,4S)-3-hydroxy-4-methyl-1-oxa-9-azaspiro[5.5]undecan-4-yl]acetamide is sourced from PubChem (CID 135118571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).