N-(5-chloro-2-methoxyphenyl)-3-methyl-2-oxo-1-oxa-3,9-diazaspiro[4.5]decane-9-carboxamide

C16H20ClN3O4 — CID 118768284

IUPACN-(5-chloro-2-methoxyphenyl)-3-methyl-2-oxo-1-oxa-3,9-diazaspiro[4.5]decane-9-carboxamide
SMILESCOc1ccc(Cl)cc1NC(=O)N1CCCC2(CN(C)C(=O)O2)C1
InChIInChI=1S/C16H20ClN3O4/c1-19-9-16(24-15(19)22)6-3-7-20(10-16)14(21)18-12-8-11(17)4-5-13(12)23-2/h4-5,8H,3,6-7,9-10H2,1-2H3,(H,18,21)
InChIKeyXCWDGNLXDOGLIK-UHFFFAOYSA-N
MW353.81 g/mol
LogP2.80
Rot. Bonds2

About N-(5-chloro-2-methoxyphenyl)-3-methyl-2-oxo-1-oxa-3,9-diazaspiro[4.5]decane-9-carboxamide

N-(5-chloro-2-methoxyphenyl)-3-methyl-2-oxo-1-oxa-3,9-diazaspiro[4.5]decane-9-carboxamide (PubChem CID 118768284) has the molecular formula C16H20ClN3O4 and a molecular weight of 353.81 g/mol. Its IUPAC name is N-(5-chloro-2-methoxyphenyl)-3-methyl-2-oxo-1-oxa-3,9-diazaspiro[4.5]decane-9-carboxamide.

Molecular Properties

Compound NameN-(5-chloro-2-methoxyphenyl)-3-methyl-2-oxo-1-oxa-3,9-diazaspiro[4.5]decane-9-carboxamide
PubChem CID118768284
Molecular FormulaC16H20ClN3O4
Molecular Weight353.81 g/mol
Exact Mass353.11
IUPAC NameN-(5-chloro-2-methoxyphenyl)-3-methyl-2-oxo-1-oxa-3,9-diazaspiro[4.5]decane-9-carboxamide
SMILESCOc1ccc(Cl)cc1NC(=O)N1CCCC2(CN(C)C(=O)O2)C1
InChIInChI=1S/C16H20ClN3O4/c1-19-9-16(24-15(19)22)6-3-7-20(10-16)14(21)18-12-8-11(17)4-5-13(12)23-2/h4-5,8H,3,6-7,9-10H2,1-2H3,(H,18,21)
InChIKeyXCWDGNLXDOGLIK-UHFFFAOYSA-N
XLogP2.80
TPSA71.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.81
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-acetamido-4-fluorophenyl)-3-methyl-2-oxo-1-oxa-3,9-diazaspiro[4.5]decane-9-carboxamide
CID 118773136
(5R)-3-methyl-2-oxo-N-(3,4,5-trifluorophenyl)-1-oxa-3,9-diazaspiro[4.5]decane-9-carboxamide
CID 125168497
methyl 4-[(5-chloro-2-methoxyphenyl)carbamoyl]piperazine-1-carboxylate
CID 108875630
N-(5-chloro-2-methoxyphenyl)-3-methyl-3-phenylazetidine-1-carboxamide
CID 166245286
(5R)-N-(3-ethoxyphenyl)-3-methyl-2-oxo-1-oxa-3,9-diazaspiro[4.5]decane-9-carboxamide
CID 125164128
(3R)-1-N-(5-chloro-2-methoxyphenyl)-3-N-[(4-fluorophenyl)methyl]-3-methylpiperidine-1,3-dicarboxamide
CID 95087898
(3S)-1-[(5-chloro-2-methoxyphenyl)carbamoyl]piperidine-3-carboxylic acid
CID 81121106
2-amino-N-(5-chloro-2-methoxyphenyl)spiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-carboxamide
CID 135119258
(5R)-9-(4-methoxy-2-methylbenzoyl)-3-methyl-1-oxa-3,9-diazaspiro[4.5]decan-2-one
CID 95723972
(3R)-N-(5-chloro-2-methoxyphenyl)-3-morpholin-4-ylpiperidine-1-carboxamide
CID 25302330
(3R)-N-(5-chloro-2-methoxyphenyl)-3-hydroxypyrrolidine-1-carboxamide
CID 111430962
1-N-(5-chloro-2-methoxyphenyl)-3-N-[(3-methoxyphenyl)methyl]-3-methylpiperidine-1,3-dicarboxamide
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Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-methoxyphenyl)-3-methyl-2-oxo-1-oxa-3,9-diazaspiro[4.5]decane-9-carboxamide?
The IUPAC name of N-(5-chloro-2-methoxyphenyl)-3-methyl-2-oxo-1-oxa-3,9-diazaspiro[4.5]decane-9-carboxamide (CID 118768284) is N-(5-chloro-2-methoxyphenyl)-3-methyl-2-oxo-1-oxa-3,9-diazaspiro[4.5]decane-9-carboxamide.
What is the SMILES notation for N-(5-chloro-2-methoxyphenyl)-3-methyl-2-oxo-1-oxa-3,9-diazaspiro[4.5]decane-9-carboxamide?
The canonical SMILES for N-(5-chloro-2-methoxyphenyl)-3-methyl-2-oxo-1-oxa-3,9-diazaspiro[4.5]decane-9-carboxamide is COc1ccc(Cl)cc1NC(=O)N1CCCC2(CN(C)C(=O)O2)C1.
What is the InChIKey of N-(5-chloro-2-methoxyphenyl)-3-methyl-2-oxo-1-oxa-3,9-diazaspiro[4.5]decane-9-carboxamide?
The InChIKey is XCWDGNLXDOGLIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20ClN3O4/c1-19-9-16(24-15(19)22)6-3-7-20(10-16)14(21)18-12-8-11(17)4-5-13(12)23-2/h4-5,8H,3,6-7,9-10H2,1-2H3,(H,18,21).
What are the key properties of N-(5-chloro-2-methoxyphenyl)-3-methyl-2-oxo-1-oxa-3,9-diazaspiro[4.5]decane-9-carboxamide?
N-(5-chloro-2-methoxyphenyl)-3-methyl-2-oxo-1-oxa-3,9-diazaspiro[4.5]decane-9-carboxamide has a molecular weight of 353.81 g/mol, XLogP of 2.80, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-methoxyphenyl)-3-methyl-2-oxo-1-oxa-3,9-diazaspiro[4.5]decane-9-carboxamide is sourced from PubChem (CID 118768284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).