(3-methoxyphenyl)-[9-(2-phenylethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl]methanone

C24H30N2O3 — CID 118562293

IUPAC(3-methoxyphenyl)-[9-(2-phenylethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl]methanone
SMILESCOc1cccc(C(=O)N2CCOC3(CCN(CCc4ccccc4)CC3)C2)c1
InChIInChI=1S/C24H30N2O3/c1-28-22-9-5-8-21(18-22)23(27)26-16-17-29-24(19-26)11-14-25(15-12-24)13-10-20-6-3-2-4-7-20/h2-9,18H,10-17,19H2,1H3
InChIKeyLZPOPFGCBFQINQ-UHFFFAOYSA-N
MW394.51 g/mol
LogP3.24
Rot. Bonds5

About (3-methoxyphenyl)-[9-(2-phenylethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl]methanone

(3-methoxyphenyl)-[9-(2-phenylethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl]methanone (PubChem CID 118562293) has the molecular formula C24H30N2O3 and a molecular weight of 394.51 g/mol. Its IUPAC name is (3-methoxyphenyl)-[9-(2-phenylethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl]methanone.

Molecular Properties

Compound Name(3-methoxyphenyl)-[9-(2-phenylethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl]methanone
PubChem CID118562293
Molecular FormulaC24H30N2O3
Molecular Weight394.51 g/mol
Exact Mass394.23
IUPAC Name(3-methoxyphenyl)-[9-(2-phenylethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl]methanone
SMILESCOc1cccc(C(=O)N2CCOC3(CCN(CCc4ccccc4)CC3)C2)c1
InChIInChI=1S/C24H30N2O3/c1-28-22-9-5-8-21(18-22)23(27)26-16-17-29-24(19-26)11-14-25(15-12-24)13-10-20-6-3-2-4-7-20/h2-9,18H,10-17,19H2,1H3
InChIKeyLZPOPFGCBFQINQ-UHFFFAOYSA-N
XLogP3.24
TPSA42.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.51
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (3-methoxyphenyl)-[9-(2-phenylethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl]methanone with MolForge

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Related Compounds

formic acid;3-[4-(3-methoxybenzoyl)-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl]propanoic acid
CID 154915813
N-[3-[2-(4-benzoyl-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl)ethyl]phenyl]methanesulfonamide
CID 118562470
[9-[(3-methoxyphenyl)methyl]-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl]-thiophen-3-ylmethanone
CID 155878851
[4-[2-(3-methoxyphenyl)ethyl]piperazin-1-yl]-phenylmethanone
CID 110602055
[9-(2-phenylethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl]-(1,3-thiazol-2-yl)methanone
CID 118562197
N-cyclopropyl-N-methyl-9-(2-phenylethyl)-1-oxa-4,9-diazaspiro[5.5]undecane-4-carboxamide
CID 118570199
(2S)-4-(3-methoxybenzoyl)-N-methyl-2-[(3-phenylphenyl)methyl]morpholine-2-carboxamide
CID 92610112
9-(3-methoxybenzoyl)-4-phenyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
CID 155986041
(3-fluorophenyl)-[4-[2-(3-methoxyphenyl)ethyl]piperazin-1-yl]methanone
CID 110412308
1-[(5R,9S)-2-(3-methoxybenzoyl)-6-oxa-2-azaspiro[4.5]decan-9-yl]pyrrolidin-2-one
CID 97476789
(4-methoxy-1-oxa-9-azaspiro[5.5]undecan-9-yl)-(3-methoxyphenyl)methanone
CID 91917960
1-[3-[2-(4-benzoyl-2-methyl-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl)ethyl]phenyl]propan-2-one
CID 162125829

Frequently Asked Questions

What is the IUPAC name of (3-methoxyphenyl)-[9-(2-phenylethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl]methanone?
The IUPAC name of (3-methoxyphenyl)-[9-(2-phenylethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl]methanone (CID 118562293) is (3-methoxyphenyl)-[9-(2-phenylethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl]methanone.
What is the SMILES notation for (3-methoxyphenyl)-[9-(2-phenylethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl]methanone?
The canonical SMILES for (3-methoxyphenyl)-[9-(2-phenylethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl]methanone is COc1cccc(C(=O)N2CCOC3(CCN(CCc4ccccc4)CC3)C2)c1.
What is the InChIKey of (3-methoxyphenyl)-[9-(2-phenylethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl]methanone?
The InChIKey is LZPOPFGCBFQINQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N2O3/c1-28-22-9-5-8-21(18-22)23(27)26-16-17-29-24(19-26)11-14-25(15-12-24)13-10-20-6-3-2-4-7-20/h2-9,18H,10-17,19H2,1H3.
What are the key properties of (3-methoxyphenyl)-[9-(2-phenylethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl]methanone?
(3-methoxyphenyl)-[9-(2-phenylethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl]methanone has a molecular weight of 394.51 g/mol, XLogP of 3.24, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methoxyphenyl)-[9-(2-phenylethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl]methanone is sourced from PubChem (CID 118562293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).