N-(2-ethylphenyl)-2-(pyrrolidine-1-carbonyl)-1-oxa-8-azaspiro[4.5]decane-8-carboxamide

C22H31N3O3 — CID 134076802

IUPACN-(2-ethylphenyl)-2-(pyrrolidine-1-carbonyl)-1-oxa-8-azaspiro[4.5]decane-8-carboxamide
SMILESCCc1ccccc1NC(=O)N1CCC2(CCC(C(=O)N3CCCC3)O2)CC1
InChIInChI=1S/C22H31N3O3/c1-2-17-7-3-4-8-18(17)23-21(27)25-15-11-22(12-16-25)10-9-19(28-22)20(26)24-13-5-6-14-24/h3-4,7-8,19H,2,5-6,9-16H2,1H3,(H,23,27)
InChIKeyPEZOXDHMKFGMOE-UHFFFAOYSA-N
MW385.51 g/mol
LogP3.42
Rot. Bonds3

About N-(2-ethylphenyl)-2-(pyrrolidine-1-carbonyl)-1-oxa-8-azaspiro[4.5]decane-8-carboxamide

N-(2-ethylphenyl)-2-(pyrrolidine-1-carbonyl)-1-oxa-8-azaspiro[4.5]decane-8-carboxamide (PubChem CID 134076802) has the molecular formula C22H31N3O3 and a molecular weight of 385.51 g/mol. Its IUPAC name is N-(2-ethylphenyl)-2-(pyrrolidine-1-carbonyl)-1-oxa-8-azaspiro[4.5]decane-8-carboxamide.

Molecular Properties

Compound NameN-(2-ethylphenyl)-2-(pyrrolidine-1-carbonyl)-1-oxa-8-azaspiro[4.5]decane-8-carboxamide
PubChem CID134076802
Molecular FormulaC22H31N3O3
Molecular Weight385.51 g/mol
Exact Mass385.24
IUPAC NameN-(2-ethylphenyl)-2-(pyrrolidine-1-carbonyl)-1-oxa-8-azaspiro[4.5]decane-8-carboxamide
SMILESCCc1ccccc1NC(=O)N1CCC2(CCC(C(=O)N3CCCC3)O2)CC1
InChIInChI=1S/C22H31N3O3/c1-2-17-7-3-4-8-18(17)23-21(27)25-15-11-22(12-16-25)10-9-19(28-22)20(26)24-13-5-6-14-24/h3-4,7-8,19H,2,5-6,9-16H2,1H3,(H,23,27)
InChIKeyPEZOXDHMKFGMOE-UHFFFAOYSA-N
XLogP3.42
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.51
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-(2-ethylphenyl)-2-(pyrrolidine-1-carbonyl)-1-oxa-8-azaspiro[4.5]decane-8-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(2-ethylphenyl)-4-(pyrrolidine-1-carbonyl)-8-oxa-2-azaspiro[4.5]decane-2-carboxamide
CID 131641879
1-[(2-ethylphenyl)carbamoyl]piperidine-3-carboxylic acid
CID 43318533
(3S)-1-[(2-ethylphenyl)carbamoyl]piperidine-3-carboxylic acid
CID 28512559
3-ethyl-N-(2-ethylphenyl)piperidine-1-carboxamide
CID 86987456
[8-(furan-2-carbonyl)-1-oxa-8-azaspiro[4.5]decan-2-yl]-pyrrolidin-1-ylmethanone
CID 131649618
N-[2-(hydroxymethyl)phenyl]pyrrolidine-1-carboxamide
CID 79161334
2-[2-(pyrrolidine-1-carbonylamino)phenyl]acetic acid
CID 62536138
(4-methylcyclohexyl)-[2-(pyrrolidine-1-carbonyl)-1-oxa-8-azaspiro[4.5]decan-8-yl]methanone
CID 155871707
(2R,5R,6S)-2-N-(cyclopropylmethyl)-8-N-(2-ethylphenyl)-6-methyl-1-oxa-8-azaspiro[4.5]decane-2,8-dicarboxamide
CID 98780646
[8-(3,5-dimethylbenzoyl)-1-oxa-8-azaspiro[4.5]decan-2-yl]-pyrrolidin-1-ylmethanone
CID 134076509
2-(azepane-1-carbonyl)-N-(2-ethylphenyl)cyclopropane-1-carboxamide
CID 109140690
4-cyano-N-(2-ethylphenyl)-4-phenylpiperidine-1-carboxamide
CID 3861868

Frequently Asked Questions

What is the IUPAC name of N-(2-ethylphenyl)-2-(pyrrolidine-1-carbonyl)-1-oxa-8-azaspiro[4.5]decane-8-carboxamide?
The IUPAC name of N-(2-ethylphenyl)-2-(pyrrolidine-1-carbonyl)-1-oxa-8-azaspiro[4.5]decane-8-carboxamide (CID 134076802) is N-(2-ethylphenyl)-2-(pyrrolidine-1-carbonyl)-1-oxa-8-azaspiro[4.5]decane-8-carboxamide.
What is the SMILES notation for N-(2-ethylphenyl)-2-(pyrrolidine-1-carbonyl)-1-oxa-8-azaspiro[4.5]decane-8-carboxamide?
The canonical SMILES for N-(2-ethylphenyl)-2-(pyrrolidine-1-carbonyl)-1-oxa-8-azaspiro[4.5]decane-8-carboxamide is CCc1ccccc1NC(=O)N1CCC2(CCC(C(=O)N3CCCC3)O2)CC1.
What is the InChIKey of N-(2-ethylphenyl)-2-(pyrrolidine-1-carbonyl)-1-oxa-8-azaspiro[4.5]decane-8-carboxamide?
The InChIKey is PEZOXDHMKFGMOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H31N3O3/c1-2-17-7-3-4-8-18(17)23-21(27)25-15-11-22(12-16-25)10-9-19(28-22)20(26)24-13-5-6-14-24/h3-4,7-8,19H,2,5-6,9-16H2,1H3,(H,23,27).
What are the key properties of N-(2-ethylphenyl)-2-(pyrrolidine-1-carbonyl)-1-oxa-8-azaspiro[4.5]decane-8-carboxamide?
N-(2-ethylphenyl)-2-(pyrrolidine-1-carbonyl)-1-oxa-8-azaspiro[4.5]decane-8-carboxamide has a molecular weight of 385.51 g/mol, XLogP of 3.42, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethylphenyl)-2-(pyrrolidine-1-carbonyl)-1-oxa-8-azaspiro[4.5]decane-8-carboxamide is sourced from PubChem (CID 134076802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).