N-(3-chloro-4-methylphenyl)-2-ethyl-3-oxo-2,9-diazaspiro[5.5]undecane-9-carboxamide

C19H26ClN3O2 — CID 70755232

IUPACN-(3-chloro-4-methylphenyl)-2-ethyl-3-oxo-2,9-diazaspiro[5.5]undecane-9-carboxamide
SMILESCCN1CC2(CCC1=O)CCN(C(=O)Nc1ccc(C)c(Cl)c1)CC2
InChIInChI=1S/C19H26ClN3O2/c1-3-22-13-19(7-6-17(22)24)8-10-23(11-9-19)18(25)21-15-5-4-14(2)16(20)12-15/h4-5,12H,3,6-11,13H2,1-2H3,(H,21,25)
InChIKeyHTWQBRRMEBSHNB-UHFFFAOYSA-N
MW363.89 g/mol
LogP3.90
Rot. Bonds2

About N-(3-chloro-4-methylphenyl)-2-ethyl-3-oxo-2,9-diazaspiro[5.5]undecane-9-carboxamide

N-(3-chloro-4-methylphenyl)-2-ethyl-3-oxo-2,9-diazaspiro[5.5]undecane-9-carboxamide (PubChem CID 70755232) has the molecular formula C19H26ClN3O2 and a molecular weight of 363.89 g/mol. Its IUPAC name is N-(3-chloro-4-methylphenyl)-2-ethyl-3-oxo-2,9-diazaspiro[5.5]undecane-9-carboxamide.

Molecular Properties

Compound NameN-(3-chloro-4-methylphenyl)-2-ethyl-3-oxo-2,9-diazaspiro[5.5]undecane-9-carboxamide
PubChem CID70755232
Molecular FormulaC19H26ClN3O2
Molecular Weight363.89 g/mol
Exact Mass363.17
IUPAC NameN-(3-chloro-4-methylphenyl)-2-ethyl-3-oxo-2,9-diazaspiro[5.5]undecane-9-carboxamide
SMILESCCN1CC2(CCC1=O)CCN(C(=O)Nc1ccc(C)c(Cl)c1)CC2
InChIInChI=1S/C19H26ClN3O2/c1-3-22-13-19(7-6-17(22)24)8-10-23(11-9-19)18(25)21-15-5-4-14(2)16(20)12-15/h4-5,12H,3,6-11,13H2,1-2H3,(H,21,25)
InChIKeyHTWQBRRMEBSHNB-UHFFFAOYSA-N
XLogP3.90
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.89
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2,5-difluorophenyl)-2-ethyl-3-oxo-2,9-diazaspiro[5.5]undecane-9-carboxamide
CID 70764179
N-(3-chloro-4-methylphenyl)-4-hydroxy-4-methylpiperidine-1-carboxamide
CID 80703460
2-ethyl-9-(2-methylbenzoyl)-2,9-diazaspiro[5.5]undecan-3-one
CID 72848278
2-[9-[(3-ethylphenyl)carbamoyl]-3-oxo-2,9-diazaspiro[5.5]undecan-2-yl]acetic acid
CID 70706545
4-acetyl-N-(3-chloro-4-methylphenyl)-1,4-diazepane-1-carboxamide
CID 23907940
N-(3-chloro-4-methylphenyl)-4-cyano-4-methylpiperidine-1-carboxamide
CID 103993100
N-(4-methylphenyl)-3-oxo-2-[[(2R)-oxolan-2-yl]methyl]-2,9-diazaspiro[5.5]undecane-9-carboxamide
CID 97119962
N-(3,4-difluorophenyl)-2-(2-methylpropyl)-3-oxo-2,8-diazaspiro[4.5]decane-8-carboxamide
CID 72849958
2-(3-methoxypropyl)-N-(3-methylphenyl)-3-oxo-2,9-diazaspiro[5.5]undecane-9-carboxamide
CID 70787450
3-oxo-N-propyl-2-(pyridin-4-ylmethyl)-2,9-diazaspiro[5.5]undecane-9-carboxamide
CID 72877044
N-(3-chloro-4-methylphenyl)-4-[(4-chlorophenyl)methyl]piperazine-1-carboxamide
CID 113107888
N-(3,5-dimethylphenyl)-3-oxo-2-propan-2-yl-2,9-diazaspiro[5.5]undecane-9-carboxamide
CID 70781141

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-methylphenyl)-2-ethyl-3-oxo-2,9-diazaspiro[5.5]undecane-9-carboxamide?
The IUPAC name of N-(3-chloro-4-methylphenyl)-2-ethyl-3-oxo-2,9-diazaspiro[5.5]undecane-9-carboxamide (CID 70755232) is N-(3-chloro-4-methylphenyl)-2-ethyl-3-oxo-2,9-diazaspiro[5.5]undecane-9-carboxamide.
What is the SMILES notation for N-(3-chloro-4-methylphenyl)-2-ethyl-3-oxo-2,9-diazaspiro[5.5]undecane-9-carboxamide?
The canonical SMILES for N-(3-chloro-4-methylphenyl)-2-ethyl-3-oxo-2,9-diazaspiro[5.5]undecane-9-carboxamide is CCN1CC2(CCC1=O)CCN(C(=O)Nc1ccc(C)c(Cl)c1)CC2.
What is the InChIKey of N-(3-chloro-4-methylphenyl)-2-ethyl-3-oxo-2,9-diazaspiro[5.5]undecane-9-carboxamide?
The InChIKey is HTWQBRRMEBSHNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26ClN3O2/c1-3-22-13-19(7-6-17(22)24)8-10-23(11-9-19)18(25)21-15-5-4-14(2)16(20)12-15/h4-5,12H,3,6-11,13H2,1-2H3,(H,21,25).
What are the key properties of N-(3-chloro-4-methylphenyl)-2-ethyl-3-oxo-2,9-diazaspiro[5.5]undecane-9-carboxamide?
N-(3-chloro-4-methylphenyl)-2-ethyl-3-oxo-2,9-diazaspiro[5.5]undecane-9-carboxamide has a molecular weight of 363.89 g/mol, XLogP of 3.90, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-methylphenyl)-2-ethyl-3-oxo-2,9-diazaspiro[5.5]undecane-9-carboxamide is sourced from PubChem (CID 70755232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).