(2R,5R,6S)-2-N-(cyclopropylmethyl)-8-N-(2-ethylphenyl)-6-methyl-1-oxa-8-azaspiro[4.5]decane-2,8-dicarboxamide

C23H33N3O3 — CID 98780646

IUPAC(2R,5R,6S)-2-N-(cyclopropylmethyl)-8-N-(2-ethylphenyl)-6-methyl-1-oxa-8-azaspiro[4.5]decane-2,8-dicarboxamide
SMILESCCc1ccccc1NC(=O)N1CC[C@]2(CC[C@H](C(=O)NCC3CC3)O2)[C@@H](C)C1
InChIInChI=1S/C23H33N3O3/c1-3-18-6-4-5-7-19(18)25-22(28)26-13-12-23(16(2)15-26)11-10-20(29-23)21(27)24-14-17-8-9-17/h4-7,16-17,20H,3,8-15H2,1-2H3,(H,24,27)(H,25,28)/t16-,20+,23+/m0/s1
InChIKeyGNWLNBUCZNCVOW-LERMDLETSA-N
MW399.54 g/mol
LogP3.57
Rot. Bonds5

About (2R,5R,6S)-2-N-(cyclopropylmethyl)-8-N-(2-ethylphenyl)-6-methyl-1-oxa-8-azaspiro[4.5]decane-2,8-dicarboxamide

(2R,5R,6S)-2-N-(cyclopropylmethyl)-8-N-(2-ethylphenyl)-6-methyl-1-oxa-8-azaspiro[4.5]decane-2,8-dicarboxamide (PubChem CID 98780646) has the molecular formula C23H33N3O3 and a molecular weight of 399.54 g/mol. Its IUPAC name is (2R,5R,6S)-2-N-(cyclopropylmethyl)-8-N-(2-ethylphenyl)-6-methyl-1-oxa-8-azaspiro[4.5]decane-2,8-dicarboxamide.

Molecular Properties

Compound Name(2R,5R,6S)-2-N-(cyclopropylmethyl)-8-N-(2-ethylphenyl)-6-methyl-1-oxa-8-azaspiro[4.5]decane-2,8-dicarboxamide
PubChem CID98780646
Molecular FormulaC23H33N3O3
Molecular Weight399.54 g/mol
Exact Mass399.25
IUPAC Name(2R,5R,6S)-2-N-(cyclopropylmethyl)-8-N-(2-ethylphenyl)-6-methyl-1-oxa-8-azaspiro[4.5]decane-2,8-dicarboxamide
SMILESCCc1ccccc1NC(=O)N1CC[C@]2(CC[C@H](C(=O)NCC3CC3)O2)[C@@H](C)C1
InChIInChI=1S/C23H33N3O3/c1-3-18-6-4-5-7-19(18)25-22(28)26-13-12-23(16(2)15-26)11-10-20(29-23)21(27)24-14-17-8-9-17/h4-7,16-17,20H,3,8-15H2,1-2H3,(H,24,27)(H,25,28)/t16-,20+,23+/m0/s1
InChIKeyGNWLNBUCZNCVOW-LERMDLETSA-N
XLogP3.57
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.54
LogP ≤ 53.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (2R,5R,6S)-2-N-(cyclopropylmethyl)-8-N-(2-ethylphenyl)-6-methyl-1-oxa-8-azaspiro[4.5]decane-2,8-dicarboxamide with MolForge

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Related Compounds

(5S,6R)-N-(cyclopropylmethyl)-8-(furan-2-ylmethyl)-6-methyl-1-oxa-8-azaspiro[4.5]decane-2-carboxamide
CID 133141385
(5R,6R)-N-(cyclopropylmethyl)-6-methyl-8-(oxan-4-ylmethyl)-1-oxa-8-azaspiro[4.5]decane-2-carboxamide
CID 134690499
N-(2-ethylphenyl)-2-(pyrrolidine-1-carbonyl)-1-oxa-8-azaspiro[4.5]decane-8-carboxamide
CID 134076802
(2R,5R,6S)-N-(cyclopropylmethyl)-6-methyl-8-(1,3-thiazol-2-ylmethyl)-1-oxa-8-azaspiro[4.5]decane-2-carboxamide
CID 97383913
3-ethyl-N-(2-ethylphenyl)piperidine-1-carboxamide
CID 86987456
8-N-(4-fluorophenyl)-6-methyl-2-N-pyridin-3-yl-1-oxa-8-azaspiro[4.5]decane-2,8-dicarboxamide
CID 134076821
(3aS,7R,7aR)-7-ethyl-N-(2-ethylphenyl)-7-hydroxy-3,3a,4,5,6,7a-hexahydro-1H-isoindole-2-carboxamide
CID 135114615
1-[(2-ethylphenyl)carbamoyl]piperidine-3-carboxylic acid
CID 43318533
(3S)-1-[(2-ethylphenyl)carbamoyl]piperidine-3-carboxylic acid
CID 28512559
(1R,3S)-3-ethoxy-N-(2-ethylphenyl)-1-hydroxy-7-azaspiro[3.5]nonane-7-carboxamide
CID 99698152
4-N-benzyl-1-N-(2-ethylphenyl)-4-methylpiperidine-1,4-dicarboxamide
CID 52998895
4-cyano-N-(2-ethylphenyl)-4-phenylpiperidine-1-carboxamide
CID 3861868

Frequently Asked Questions

What is the IUPAC name of (2R,5R,6S)-2-N-(cyclopropylmethyl)-8-N-(2-ethylphenyl)-6-methyl-1-oxa-8-azaspiro[4.5]decane-2,8-dicarboxamide?
The IUPAC name of (2R,5R,6S)-2-N-(cyclopropylmethyl)-8-N-(2-ethylphenyl)-6-methyl-1-oxa-8-azaspiro[4.5]decane-2,8-dicarboxamide (CID 98780646) is (2R,5R,6S)-2-N-(cyclopropylmethyl)-8-N-(2-ethylphenyl)-6-methyl-1-oxa-8-azaspiro[4.5]decane-2,8-dicarboxamide.
What is the SMILES notation for (2R,5R,6S)-2-N-(cyclopropylmethyl)-8-N-(2-ethylphenyl)-6-methyl-1-oxa-8-azaspiro[4.5]decane-2,8-dicarboxamide?
The canonical SMILES for (2R,5R,6S)-2-N-(cyclopropylmethyl)-8-N-(2-ethylphenyl)-6-methyl-1-oxa-8-azaspiro[4.5]decane-2,8-dicarboxamide is CCc1ccccc1NC(=O)N1CC[C@]2(CC[C@H](C(=O)NCC3CC3)O2)[C@@H](C)C1.
What is the InChIKey of (2R,5R,6S)-2-N-(cyclopropylmethyl)-8-N-(2-ethylphenyl)-6-methyl-1-oxa-8-azaspiro[4.5]decane-2,8-dicarboxamide?
The InChIKey is GNWLNBUCZNCVOW-LERMDLETSA-N. The full InChI is InChI=1S/C23H33N3O3/c1-3-18-6-4-5-7-19(18)25-22(28)26-13-12-23(16(2)15-26)11-10-20(29-23)21(27)24-14-17-8-9-17/h4-7,16-17,20H,3,8-15H2,1-2H3,(H,24,27)(H,25,28)/t16-,20+,23+/m0/s1.
What are the key properties of (2R,5R,6S)-2-N-(cyclopropylmethyl)-8-N-(2-ethylphenyl)-6-methyl-1-oxa-8-azaspiro[4.5]decane-2,8-dicarboxamide?
(2R,5R,6S)-2-N-(cyclopropylmethyl)-8-N-(2-ethylphenyl)-6-methyl-1-oxa-8-azaspiro[4.5]decane-2,8-dicarboxamide has a molecular weight of 399.54 g/mol, XLogP of 3.57, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,5R,6S)-2-N-(cyclopropylmethyl)-8-N-(2-ethylphenyl)-6-methyl-1-oxa-8-azaspiro[4.5]decane-2,8-dicarboxamide is sourced from PubChem (CID 98780646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).