(2S)-6-(2-phenoxyacetyl)-N-[(4-phenyloxan-4-yl)methyl]-6-azaspiro[2.5]octane-2-carboxamide

C28H34N2O4 — CID 42429738

IUPAC(2S)-6-(2-phenoxyacetyl)-N-[(4-phenyloxan-4-yl)methyl]-6-azaspiro[2.5]octane-2-carboxamide
SMILESO=C(NCC1(c2ccccc2)CCOCC1)[C@H]1CC12CCN(C(=O)COc1ccccc1)CC2
InChIInChI=1S/C28H34N2O4/c31-25(20-34-23-9-5-2-6-10-23)30-15-11-27(12-16-30)19-24(27)26(32)29-21-28(13-17-33-18-14-28)22-7-3-1-4-8-22/h1-10,24H,11-21H2,(H,29,32)/t24-/m1/s1
InChIKeyZZBADUNWLZUCDW-XMMPIXPASA-N
MW462.59 g/mol
LogP3.56
Rot. Bonds7

About (2S)-6-(2-phenoxyacetyl)-N-[(4-phenyloxan-4-yl)methyl]-6-azaspiro[2.5]octane-2-carboxamide

(2S)-6-(2-phenoxyacetyl)-N-[(4-phenyloxan-4-yl)methyl]-6-azaspiro[2.5]octane-2-carboxamide (PubChem CID 42429738) has the molecular formula C28H34N2O4 and a molecular weight of 462.59 g/mol. Its IUPAC name is (2S)-6-(2-phenoxyacetyl)-N-[(4-phenyloxan-4-yl)methyl]-6-azaspiro[2.5]octane-2-carboxamide.

Molecular Properties

Compound Name(2S)-6-(2-phenoxyacetyl)-N-[(4-phenyloxan-4-yl)methyl]-6-azaspiro[2.5]octane-2-carboxamide
PubChem CID42429738
Molecular FormulaC28H34N2O4
Molecular Weight462.59 g/mol
Exact Mass462.25
IUPAC Name(2S)-6-(2-phenoxyacetyl)-N-[(4-phenyloxan-4-yl)methyl]-6-azaspiro[2.5]octane-2-carboxamide
SMILESO=C(NCC1(c2ccccc2)CCOCC1)[C@H]1CC12CCN(C(=O)COc1ccccc1)CC2
InChIInChI=1S/C28H34N2O4/c31-25(20-34-23-9-5-2-6-10-23)30-15-11-27(12-16-30)19-24(27)26(32)29-21-28(13-17-33-18-14-28)22-7-3-1-4-8-22/h1-10,24H,11-21H2,(H,29,32)/t24-/m1/s1
InChIKeyZZBADUNWLZUCDW-XMMPIXPASA-N
XLogP3.56
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.59
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (2S)-6-(2-phenoxyacetyl)-N-[(4-phenyloxan-4-yl)methyl]-6-azaspiro[2.5]octane-2-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

(2R)-6-(2-phenoxyacetyl)-N-[(4-phenyloxan-4-yl)methyl]-6-azaspiro[2.5]octane-2-carboxamide
CID 42429739
(2R)-6-[2-(1,3-benzodioxol-5-yl)acetyl]-N-[(4-phenyloxan-4-yl)methyl]-6-azaspiro[2.5]octane-2-carboxamide
CID 26324463
(2R)-6-(oxane-4-carbonyl)-N-[(1-phenylcyclopentyl)methyl]-6-azaspiro[2.5]octane-2-carboxamide
CID 26346946
(2S)-6-(oxane-4-carbonyl)-N-[(1-phenylcyclopentyl)methyl]-6-azaspiro[2.5]octane-2-carboxamide
CID 26346949
N-[(4-phenyloxan-4-yl)methyl]-6-(3-phenyl-1H-pyrazole-5-carbonyl)-6-azaspiro[2.5]octane-2-carboxamide
CID 45190452
6-[(E)-2-methyl-3-phenylprop-2-enyl]-N-[(4-phenyloxan-4-yl)methyl]-6-azaspiro[2.5]octane-2-carboxamide
CID 45168168
(2S)-6-(2-methylsulfanyl-1,3-thiazole-4-carbonyl)-N-[(4-phenyloxan-4-yl)methyl]-6-azaspiro[2.5]octane-2-carboxamide
CID 26324204
N-[(1-phenylcyclopentyl)methyl]-6-(3-phenylprop-2-enoyl)-6-azaspiro[2.5]octane-2-carboxamide
CID 74801916
N-[(1-phenylcyclopentyl)methyl]-6-[2-(1,2,4-triazol-1-yl)acetyl]-6-azaspiro[2.5]octane-2-carboxamide
CID 126466656
1-[(5S)-5-(methoxymethyl)-3-oxa-9-azaspiro[5.5]undecan-9-yl]-2-phenoxyethanone
CID 97418516
(2R)-6-[(2-hydroxyphenyl)methyl]-N-[(1-phenylcyclopentyl)methyl]-6-azaspiro[2.5]octane-2-carboxamide
CID 26276877
6-(6-oxopyran-3-carbonyl)-N-[(1-phenylcyclopentyl)methyl]-6-azaspiro[2.5]octane-2-carboxamide
CID 126466690

Frequently Asked Questions

What is the IUPAC name of (2S)-6-(2-phenoxyacetyl)-N-[(4-phenyloxan-4-yl)methyl]-6-azaspiro[2.5]octane-2-carboxamide?
The IUPAC name of (2S)-6-(2-phenoxyacetyl)-N-[(4-phenyloxan-4-yl)methyl]-6-azaspiro[2.5]octane-2-carboxamide (CID 42429738) is (2S)-6-(2-phenoxyacetyl)-N-[(4-phenyloxan-4-yl)methyl]-6-azaspiro[2.5]octane-2-carboxamide.
What is the SMILES notation for (2S)-6-(2-phenoxyacetyl)-N-[(4-phenyloxan-4-yl)methyl]-6-azaspiro[2.5]octane-2-carboxamide?
The canonical SMILES for (2S)-6-(2-phenoxyacetyl)-N-[(4-phenyloxan-4-yl)methyl]-6-azaspiro[2.5]octane-2-carboxamide is O=C(NCC1(c2ccccc2)CCOCC1)[C@H]1CC12CCN(C(=O)COc1ccccc1)CC2.
What is the InChIKey of (2S)-6-(2-phenoxyacetyl)-N-[(4-phenyloxan-4-yl)methyl]-6-azaspiro[2.5]octane-2-carboxamide?
The InChIKey is ZZBADUNWLZUCDW-XMMPIXPASA-N. The full InChI is InChI=1S/C28H34N2O4/c31-25(20-34-23-9-5-2-6-10-23)30-15-11-27(12-16-30)19-24(27)26(32)29-21-28(13-17-33-18-14-28)22-7-3-1-4-8-22/h1-10,24H,11-21H2,(H,29,32)/t24-/m1/s1.
What are the key properties of (2S)-6-(2-phenoxyacetyl)-N-[(4-phenyloxan-4-yl)methyl]-6-azaspiro[2.5]octane-2-carboxamide?
(2S)-6-(2-phenoxyacetyl)-N-[(4-phenyloxan-4-yl)methyl]-6-azaspiro[2.5]octane-2-carboxamide has a molecular weight of 462.59 g/mol, XLogP of 3.56, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-6-(2-phenoxyacetyl)-N-[(4-phenyloxan-4-yl)methyl]-6-azaspiro[2.5]octane-2-carboxamide is sourced from PubChem (CID 42429738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).