2-N-(cyclopropylmethyl)-6-methyl-8-N-(4-methylphenyl)-1-oxa-8-azaspiro[4.5]decane-2,8-dicarboxamide

C22H31N3O3 — CID 131653413

IUPAC2-N-(cyclopropylmethyl)-6-methyl-8-N-(4-methylphenyl)-1-oxa-8-azaspiro[4.5]decane-2,8-dicarboxamide
SMILESCc1ccc(NC(=O)N2CCC3(CCC(C(=O)NCC4CC4)O3)C(C)C2)cc1
InChIInChI=1S/C22H31N3O3/c1-15-3-7-18(8-4-15)24-21(27)25-12-11-22(16(2)14-25)10-9-19(28-22)20(26)23-13-17-5-6-17/h3-4,7-8,16-17,19H,5-6,9-14H2,1-2H3,(H,23,26)(H,24,27)
InChIKeyGFWSGZNMQCJYCJ-UHFFFAOYSA-N
MW385.51 g/mol
LogP3.31
Rot. Bonds4

About 2-N-(cyclopropylmethyl)-6-methyl-8-N-(4-methylphenyl)-1-oxa-8-azaspiro[4.5]decane-2,8-dicarboxamide

2-N-(cyclopropylmethyl)-6-methyl-8-N-(4-methylphenyl)-1-oxa-8-azaspiro[4.5]decane-2,8-dicarboxamide (PubChem CID 131653413) has the molecular formula C22H31N3O3 and a molecular weight of 385.51 g/mol. Its IUPAC name is 2-N-(cyclopropylmethyl)-6-methyl-8-N-(4-methylphenyl)-1-oxa-8-azaspiro[4.5]decane-2,8-dicarboxamide.

Molecular Properties

Compound Name2-N-(cyclopropylmethyl)-6-methyl-8-N-(4-methylphenyl)-1-oxa-8-azaspiro[4.5]decane-2,8-dicarboxamide
PubChem CID131653413
Molecular FormulaC22H31N3O3
Molecular Weight385.51 g/mol
Exact Mass385.24
IUPAC Name2-N-(cyclopropylmethyl)-6-methyl-8-N-(4-methylphenyl)-1-oxa-8-azaspiro[4.5]decane-2,8-dicarboxamide
SMILESCc1ccc(NC(=O)N2CCC3(CCC(C(=O)NCC4CC4)O3)C(C)C2)cc1
InChIInChI=1S/C22H31N3O3/c1-15-3-7-18(8-4-15)24-21(27)25-12-11-22(16(2)14-25)10-9-19(28-22)20(26)23-13-17-5-6-17/h3-4,7-8,16-17,19H,5-6,9-14H2,1-2H3,(H,23,26)(H,24,27)
InChIKeyGFWSGZNMQCJYCJ-UHFFFAOYSA-N
XLogP3.31
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.51
LogP ≤ 53.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(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-N-(4-fluorophenyl)-6-methyl-2-N-pyridin-3-yl-1-oxa-8-azaspiro[4.5]decane-2,8-dicarboxamide
CID 134076821
(2R,5S,6R)-8-N-(3-fluorophenyl)-2-N,2-N,6-trimethyl-1-oxa-8-azaspiro[4.5]decane-2,8-dicarboxamide
CID 97406636
4-(methylaminomethyl)-N-(4-methylphenyl)piperidine-1-carboxamide
CID 63248764
2-N-(cyclohexylmethyl)-1-N-(4-methylphenyl)pyrrolidine-1,2-dicarboxamide
CID 3221241
4-hydroxy-1-[(4-methylphenyl)carbamoyl]piperidine-4-carboxylic acid
CID 56878672
4-[(4-methylcyclohexyl)methyl]-N-(4-methylphenyl)piperidine-1-carboxamide
CID 20930657
(2S,5R,6S)-6-methyl-8-(4-methylphenyl)sulfonyl-N-pyridin-3-yl-1-oxa-8-azaspiro[4.5]decane-2-carboxamide
CID 98780731
4-[2-(cyclobutanecarbonylamino)ethyl]-N-(4-methylphenyl)piperidine-1-carboxamide
CID 91913288
3-hydroxy-3-methyl-N-(4-methylphenyl)pyrrolidine-1-carboxamide
CID 103727848
4-[[(3R,5S)-3,5-dimethylpiperidin-1-yl]methyl]-N-(4-methylphenyl)piperidine-1-carboxamide
CID 92731351
N-(4-methylphenyl)-4-[2-(2-methylpropanoylamino)ethyl]piperidine-1-carboxamide
CID 91903591

Frequently Asked Questions

What is the IUPAC name of 2-N-(cyclopropylmethyl)-6-methyl-8-N-(4-methylphenyl)-1-oxa-8-azaspiro[4.5]decane-2,8-dicarboxamide?
The IUPAC name of 2-N-(cyclopropylmethyl)-6-methyl-8-N-(4-methylphenyl)-1-oxa-8-azaspiro[4.5]decane-2,8-dicarboxamide (CID 131653413) is 2-N-(cyclopropylmethyl)-6-methyl-8-N-(4-methylphenyl)-1-oxa-8-azaspiro[4.5]decane-2,8-dicarboxamide.
What is the SMILES notation for 2-N-(cyclopropylmethyl)-6-methyl-8-N-(4-methylphenyl)-1-oxa-8-azaspiro[4.5]decane-2,8-dicarboxamide?
The canonical SMILES for 2-N-(cyclopropylmethyl)-6-methyl-8-N-(4-methylphenyl)-1-oxa-8-azaspiro[4.5]decane-2,8-dicarboxamide is Cc1ccc(NC(=O)N2CCC3(CCC(C(=O)NCC4CC4)O3)C(C)C2)cc1.
What is the InChIKey of 2-N-(cyclopropylmethyl)-6-methyl-8-N-(4-methylphenyl)-1-oxa-8-azaspiro[4.5]decane-2,8-dicarboxamide?
The InChIKey is GFWSGZNMQCJYCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H31N3O3/c1-15-3-7-18(8-4-15)24-21(27)25-12-11-22(16(2)14-25)10-9-19(28-22)20(26)23-13-17-5-6-17/h3-4,7-8,16-17,19H,5-6,9-14H2,1-2H3,(H,23,26)(H,24,27).
What are the key properties of 2-N-(cyclopropylmethyl)-6-methyl-8-N-(4-methylphenyl)-1-oxa-8-azaspiro[4.5]decane-2,8-dicarboxamide?
2-N-(cyclopropylmethyl)-6-methyl-8-N-(4-methylphenyl)-1-oxa-8-azaspiro[4.5]decane-2,8-dicarboxamide has a molecular weight of 385.51 g/mol, XLogP of 3.31, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(cyclopropylmethyl)-6-methyl-8-N-(4-methylphenyl)-1-oxa-8-azaspiro[4.5]decane-2,8-dicarboxamide is sourced from PubChem (CID 131653413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).