N-[2-methoxy-5-(methylcarbamoyl)phenyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decane-8-carboxamide

C17H22N4O5 — CID 118760794

IUPACN-[2-methoxy-5-(methylcarbamoyl)phenyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decane-8-carboxamide
SMILESCNC(=O)c1ccc(OC)c(NC(=O)N2CCC3(CC2)CNC(=O)O3)c1
InChIInChI=1S/C17H22N4O5/c1-18-14(22)11-3-4-13(25-2)12(9-11)20-15(23)21-7-5-17(6-8-21)10-19-16(24)26-17/h3-4,9H,5-8,10H2,1-2H3,(H,18,22)(H,19,24)(H,20,23)
InChIKeyNAJSMBKMSMKOKO-UHFFFAOYSA-N
MW362.39 g/mol
LogP1.16
Rot. Bonds3

About N-[2-methoxy-5-(methylcarbamoyl)phenyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decane-8-carboxamide

N-[2-methoxy-5-(methylcarbamoyl)phenyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decane-8-carboxamide (PubChem CID 118760794) has the molecular formula C17H22N4O5 and a molecular weight of 362.39 g/mol. Its IUPAC name is N-[2-methoxy-5-(methylcarbamoyl)phenyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decane-8-carboxamide.

Molecular Properties

Compound NameN-[2-methoxy-5-(methylcarbamoyl)phenyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decane-8-carboxamide
PubChem CID118760794
Molecular FormulaC17H22N4O5
Molecular Weight362.39 g/mol
Exact Mass362.16
IUPAC NameN-[2-methoxy-5-(methylcarbamoyl)phenyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decane-8-carboxamide
SMILESCNC(=O)c1ccc(OC)c(NC(=O)N2CCC3(CC2)CNC(=O)O3)c1
InChIInChI=1S/C17H22N4O5/c1-18-14(22)11-3-4-13(25-2)12(9-11)20-15(23)21-7-5-17(6-8-21)10-19-16(24)26-17/h3-4,9H,5-8,10H2,1-2H3,(H,18,22)(H,19,24)(H,20,23)
InChIKeyNAJSMBKMSMKOKO-UHFFFAOYSA-N
XLogP1.16
TPSA109.00 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.39
LogP ≤ 51.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

4-benzyl-N-[2-methoxy-5-(methylcarbamoyl)phenyl]piperazine-1-carboxamide
CID 86995002
4-cyclopentyl-N-[2-methoxy-5-(methylcarbamoyl)phenyl]piperazine-1-carboxamide
CID 86995011
4-cyclopentyl-N-[2-methoxy-5-(methylcarbamoyl)phenyl]-1,4-diazepane-1-carboxamide
CID 118771356
2-oxo-N-(2-phenylmethoxyphenyl)-1-oxa-3,8-diazaspiro[4.5]decane-8-carboxamide
CID 118778157
N-[2-methoxy-5-(pyrrolidine-1-carbonyl)phenyl]azocane-1-carboxamide
CID 71935966
N-(5-chloro-2-methoxyphenyl)-5-oxo-1,4,9-triazaspiro[5.5]undecane-9-carboxamide
CID 56741860
1-[2-[2-methoxy-5-(methylcarbamoyl)anilino]-2-oxoethyl]cyclopentane-1-carboxylic acid
CID 56816635
ethyl 4-[(2-methoxy-5-methoxycarbonylphenyl)carbamoyl]piperazine-1-carboxylate
CID 118792659
8-[2-(4-methoxyphenyl)acetyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one
CID 110668791
N-[2-methoxy-5-(methylcarbamoyl)phenyl]-4-azatricyclo[4.3.1.13,8]undecane-4-carboxamide
CID 56800037
N-[2-(3,5-dimethoxyphenyl)ethyl]-2-oxo-1-oxa-3,9-diazaspiro[4.6]undecane-9-carboxamide
CID 119066807
8-(4-iodobenzoyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one
CID 147984267

Frequently Asked Questions

What is the IUPAC name of N-[2-methoxy-5-(methylcarbamoyl)phenyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decane-8-carboxamide?
The IUPAC name of N-[2-methoxy-5-(methylcarbamoyl)phenyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decane-8-carboxamide (CID 118760794) is N-[2-methoxy-5-(methylcarbamoyl)phenyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decane-8-carboxamide.
What is the SMILES notation for N-[2-methoxy-5-(methylcarbamoyl)phenyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decane-8-carboxamide?
The canonical SMILES for N-[2-methoxy-5-(methylcarbamoyl)phenyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decane-8-carboxamide is CNC(=O)c1ccc(OC)c(NC(=O)N2CCC3(CC2)CNC(=O)O3)c1.
What is the InChIKey of N-[2-methoxy-5-(methylcarbamoyl)phenyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decane-8-carboxamide?
The InChIKey is NAJSMBKMSMKOKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O5/c1-18-14(22)11-3-4-13(25-2)12(9-11)20-15(23)21-7-5-17(6-8-21)10-19-16(24)26-17/h3-4,9H,5-8,10H2,1-2H3,(H,18,22)(H,19,24)(H,20,23).
What are the key properties of N-[2-methoxy-5-(methylcarbamoyl)phenyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decane-8-carboxamide?
N-[2-methoxy-5-(methylcarbamoyl)phenyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decane-8-carboxamide has a molecular weight of 362.39 g/mol, XLogP of 1.16, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-methoxy-5-(methylcarbamoyl)phenyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decane-8-carboxamide is sourced from PubChem (CID 118760794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).