N-(2-chloro-4-methylphenyl)-6-(cyclopropylmethyl)-7-oxo-2-oxa-6,10-diazaspiro[4.6]undecane-10-carboxamide

C20H26ClN3O3 — CID 146071150

IUPACN-(2-chloro-4-methylphenyl)-6-(cyclopropylmethyl)-7-oxo-2-oxa-6,10-diazaspiro[4.6]undecane-10-carboxamide
SMILESCc1ccc(NC(=O)N2CCC(=O)N(CC3CC3)C3(CCOC3)C2)c(Cl)c1
InChIInChI=1S/C20H26ClN3O3/c1-14-2-5-17(16(21)10-14)22-19(26)23-8-6-18(25)24(11-15-3-4-15)20(12-23)7-9-27-13-20/h2,5,10,15H,3-4,6-9,11-13H2,1H3,(H,22,26)
InChIKeyKOYWNZXNXAQICJ-UHFFFAOYSA-N
MW391.90 g/mol
LogP3.28
Rot. Bonds3

About N-(2-chloro-4-methylphenyl)-6-(cyclopropylmethyl)-7-oxo-2-oxa-6,10-diazaspiro[4.6]undecane-10-carboxamide

N-(2-chloro-4-methylphenyl)-6-(cyclopropylmethyl)-7-oxo-2-oxa-6,10-diazaspiro[4.6]undecane-10-carboxamide (PubChem CID 146071150) has the molecular formula C20H26ClN3O3 and a molecular weight of 391.90 g/mol. Its IUPAC name is N-(2-chloro-4-methylphenyl)-6-(cyclopropylmethyl)-7-oxo-2-oxa-6,10-diazaspiro[4.6]undecane-10-carboxamide.

Molecular Properties

Compound NameN-(2-chloro-4-methylphenyl)-6-(cyclopropylmethyl)-7-oxo-2-oxa-6,10-diazaspiro[4.6]undecane-10-carboxamide
PubChem CID146071150
Molecular FormulaC20H26ClN3O3
Molecular Weight391.90 g/mol
Exact Mass391.17
IUPAC NameN-(2-chloro-4-methylphenyl)-6-(cyclopropylmethyl)-7-oxo-2-oxa-6,10-diazaspiro[4.6]undecane-10-carboxamide
SMILESCc1ccc(NC(=O)N2CCC(=O)N(CC3CC3)C3(CCOC3)C2)c(Cl)c1
InChIInChI=1S/C20H26ClN3O3/c1-14-2-5-17(16(21)10-14)22-19(26)23-8-6-18(25)24(11-15-3-4-15)20(12-23)7-9-27-13-20/h2,5,10,15H,3-4,6-9,11-13H2,1H3,(H,22,26)
InChIKeyKOYWNZXNXAQICJ-UHFFFAOYSA-N
XLogP3.28
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.90
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-(cyclopropylmethyl)-7-oxo-N-(2-phenylethyl)-2-oxa-6,10-diazaspiro[4.6]undecane-10-carboxamide
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(3S)-N-(2-chloro-4-methylphenyl)-3-(4-methylpiperazin-1-yl)azepane-1-carboxamide
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Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-4-methylphenyl)-6-(cyclopropylmethyl)-7-oxo-2-oxa-6,10-diazaspiro[4.6]undecane-10-carboxamide?
The IUPAC name of N-(2-chloro-4-methylphenyl)-6-(cyclopropylmethyl)-7-oxo-2-oxa-6,10-diazaspiro[4.6]undecane-10-carboxamide (CID 146071150) is N-(2-chloro-4-methylphenyl)-6-(cyclopropylmethyl)-7-oxo-2-oxa-6,10-diazaspiro[4.6]undecane-10-carboxamide.
What is the SMILES notation for N-(2-chloro-4-methylphenyl)-6-(cyclopropylmethyl)-7-oxo-2-oxa-6,10-diazaspiro[4.6]undecane-10-carboxamide?
The canonical SMILES for N-(2-chloro-4-methylphenyl)-6-(cyclopropylmethyl)-7-oxo-2-oxa-6,10-diazaspiro[4.6]undecane-10-carboxamide is Cc1ccc(NC(=O)N2CCC(=O)N(CC3CC3)C3(CCOC3)C2)c(Cl)c1.
What is the InChIKey of N-(2-chloro-4-methylphenyl)-6-(cyclopropylmethyl)-7-oxo-2-oxa-6,10-diazaspiro[4.6]undecane-10-carboxamide?
The InChIKey is KOYWNZXNXAQICJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26ClN3O3/c1-14-2-5-17(16(21)10-14)22-19(26)23-8-6-18(25)24(11-15-3-4-15)20(12-23)7-9-27-13-20/h2,5,10,15H,3-4,6-9,11-13H2,1H3,(H,22,26).
What are the key properties of N-(2-chloro-4-methylphenyl)-6-(cyclopropylmethyl)-7-oxo-2-oxa-6,10-diazaspiro[4.6]undecane-10-carboxamide?
N-(2-chloro-4-methylphenyl)-6-(cyclopropylmethyl)-7-oxo-2-oxa-6,10-diazaspiro[4.6]undecane-10-carboxamide has a molecular weight of 391.90 g/mol, XLogP of 3.28, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-4-methylphenyl)-6-(cyclopropylmethyl)-7-oxo-2-oxa-6,10-diazaspiro[4.6]undecane-10-carboxamide is sourced from PubChem (CID 146071150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).