(3R)-N-benzyl-4-(4-methoxybenzoyl)-8-(2-methylbenzoyl)-1-oxa-4,8-diazaspiro[4.5]decane-3-carboxamide

C31H33N3O5 — CID 93137078

IUPAC(3R)-N-benzyl-4-(4-methoxybenzoyl)-8-(2-methylbenzoyl)-1-oxa-4,8-diazaspiro[4.5]decane-3-carboxamide
SMILESCOc1ccc(C(=O)N2[C@@H](C(=O)NCc3ccccc3)COC23CCN(C(=O)c2ccccc2C)CC3)cc1
InChIInChI=1S/C31H33N3O5/c1-22-8-6-7-11-26(22)30(37)33-18-16-31(17-19-33)34(29(36)24-12-14-25(38-2)15-13-24)27(21-39-31)28(35)32-20-23-9-4-3-5-10-23/h3-15,27H,16-21H2,1-2H3,(H,32,35)/t27-/m1/s1
InChIKeyWQBDMXTUISZERH-HHHXNRCGSA-N
MW527.62 g/mol
LogP3.79
Rot. Bonds6

About (3R)-N-benzyl-4-(4-methoxybenzoyl)-8-(2-methylbenzoyl)-1-oxa-4,8-diazaspiro[4.5]decane-3-carboxamide

(3R)-N-benzyl-4-(4-methoxybenzoyl)-8-(2-methylbenzoyl)-1-oxa-4,8-diazaspiro[4.5]decane-3-carboxamide (PubChem CID 93137078) has the molecular formula C31H33N3O5 and a molecular weight of 527.62 g/mol. Its IUPAC name is (3R)-N-benzyl-4-(4-methoxybenzoyl)-8-(2-methylbenzoyl)-1-oxa-4,8-diazaspiro[4.5]decane-3-carboxamide.

Molecular Properties

Compound Name(3R)-N-benzyl-4-(4-methoxybenzoyl)-8-(2-methylbenzoyl)-1-oxa-4,8-diazaspiro[4.5]decane-3-carboxamide
PubChem CID93137078
Molecular FormulaC31H33N3O5
Molecular Weight527.62 g/mol
Exact Mass527.24
IUPAC Name(3R)-N-benzyl-4-(4-methoxybenzoyl)-8-(2-methylbenzoyl)-1-oxa-4,8-diazaspiro[4.5]decane-3-carboxamide
SMILESCOc1ccc(C(=O)N2[C@@H](C(=O)NCc3ccccc3)COC23CCN(C(=O)c2ccccc2C)CC3)cc1
InChIInChI=1S/C31H33N3O5/c1-22-8-6-7-11-26(22)30(37)33-18-16-31(17-19-33)34(29(36)24-12-14-25(38-2)15-13-24)27(21-39-31)28(35)32-20-23-9-4-3-5-10-23/h3-15,27H,16-21H2,1-2H3,(H,32,35)/t27-/m1/s1
InChIKeyWQBDMXTUISZERH-HHHXNRCGSA-N
XLogP3.79
TPSA88.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500527.62
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(3R)-4-benzoyl-N-benzyl-8-(4-methoxybenzoyl)-1-oxa-4,8-diazaspiro[4.5]decane-3-carboxamide
CID 97478123
N-benzyl-8-(2,2-dimethylpropanoyl)-4-(4-methoxybenzoyl)-1-oxa-4,8-diazaspiro[4.5]decane-3-carboxamide
CID 71955293
(3R)-N-benzyl-8-(3-methoxybenzoyl)-4-(4-methylbenzoyl)-1-oxa-4,8-diazaspiro[4.5]decane-3-carboxamide
CID 93138038
4-(4-methoxybenzoyl)-8-(2-methylbenzoyl)-N-(1-phenylethyl)-1-oxa-4,8-diazaspiro[4.5]decane-3-carboxamide
CID 42820873
(3R)-4-benzoyl-8-(2-methylbenzoyl)-N-propyl-1-oxa-4,8-diazaspiro[4.5]decane-3-carboxamide
CID 93137292
(3S)-N-benzyl-8-(3,3-dimethylbutanoyl)-4-(2-methylbenzoyl)-1-oxa-4,8-diazaspiro[4.5]decane-3-carboxamide
CID 93144858
8-(4-chlorobenzoyl)-4-(2-methylbenzoyl)-N-(pyridin-4-ylmethyl)-1-oxa-4,8-diazaspiro[4.5]decane-3-carboxamide
CID 42821032
(3R)-N-benzyl-8-(4-ethylbenzoyl)-4-(4-fluorobenzoyl)-1-oxa-4,8-diazaspiro[4.5]decane-3-carboxamide
CID 93136893
(3R)-8-(3,4-dimethoxybenzoyl)-4-(2-methylbenzoyl)-N-[[3-(trifluoromethyl)phenyl]methyl]-1-oxa-4,8-diazaspiro[4.5]decane-3-carboxamide
CID 98421053
(3R)-N-(furan-2-ylmethyl)-8-(4-methoxybenzoyl)-4-(4-methylbenzoyl)-1-oxa-4,8-diazaspiro[4.5]decane-3-carboxamide
CID 93137976
(3R)-4-benzoyl-8-(4-methoxybenzoyl)-N-[[(2R)-oxolan-2-yl]methyl]-1-oxa-4,8-diazaspiro[4.5]decane-3-carboxamide
CID 97478139
(3S)-4,8-bis(4-methoxybenzoyl)-N-(2-methoxyethyl)-1-oxa-4,8-diazaspiro[4.5]decane-3-carboxamide
CID 93136999

Frequently Asked Questions

What is the IUPAC name of (3R)-N-benzyl-4-(4-methoxybenzoyl)-8-(2-methylbenzoyl)-1-oxa-4,8-diazaspiro[4.5]decane-3-carboxamide?
The IUPAC name of (3R)-N-benzyl-4-(4-methoxybenzoyl)-8-(2-methylbenzoyl)-1-oxa-4,8-diazaspiro[4.5]decane-3-carboxamide (CID 93137078) is (3R)-N-benzyl-4-(4-methoxybenzoyl)-8-(2-methylbenzoyl)-1-oxa-4,8-diazaspiro[4.5]decane-3-carboxamide.
What is the SMILES notation for (3R)-N-benzyl-4-(4-methoxybenzoyl)-8-(2-methylbenzoyl)-1-oxa-4,8-diazaspiro[4.5]decane-3-carboxamide?
The canonical SMILES for (3R)-N-benzyl-4-(4-methoxybenzoyl)-8-(2-methylbenzoyl)-1-oxa-4,8-diazaspiro[4.5]decane-3-carboxamide is COc1ccc(C(=O)N2[C@@H](C(=O)NCc3ccccc3)COC23CCN(C(=O)c2ccccc2C)CC3)cc1.
What is the InChIKey of (3R)-N-benzyl-4-(4-methoxybenzoyl)-8-(2-methylbenzoyl)-1-oxa-4,8-diazaspiro[4.5]decane-3-carboxamide?
The InChIKey is WQBDMXTUISZERH-HHHXNRCGSA-N. The full InChI is InChI=1S/C31H33N3O5/c1-22-8-6-7-11-26(22)30(37)33-18-16-31(17-19-33)34(29(36)24-12-14-25(38-2)15-13-24)27(21-39-31)28(35)32-20-23-9-4-3-5-10-23/h3-15,27H,16-21H2,1-2H3,(H,32,35)/t27-/m1/s1.
What are the key properties of (3R)-N-benzyl-4-(4-methoxybenzoyl)-8-(2-methylbenzoyl)-1-oxa-4,8-diazaspiro[4.5]decane-3-carboxamide?
(3R)-N-benzyl-4-(4-methoxybenzoyl)-8-(2-methylbenzoyl)-1-oxa-4,8-diazaspiro[4.5]decane-3-carboxamide has a molecular weight of 527.62 g/mol, XLogP of 3.79, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-benzyl-4-(4-methoxybenzoyl)-8-(2-methylbenzoyl)-1-oxa-4,8-diazaspiro[4.5]decane-3-carboxamide is sourced from PubChem (CID 93137078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).