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

C31H33N3O5 — CID 93138038

IUPAC(3R)-N-benzyl-8-(3-methoxybenzoyl)-4-(4-methylbenzoyl)-1-oxa-4,8-diazaspiro[4.5]decane-3-carboxamide
SMILESCOc1cccc(C(=O)N2CCC3(CC2)OC[C@H](C(=O)NCc2ccccc2)N3C(=O)c2ccc(C)cc2)c1
InChIInChI=1S/C31H33N3O5/c1-22-11-13-24(14-12-22)30(37)34-27(28(35)32-20-23-7-4-3-5-8-23)21-39-31(34)15-17-33(18-16-31)29(36)25-9-6-10-26(19-25)38-2/h3-14,19,27H,15-18,20-21H2,1-2H3,(H,32,35)/t27-/m1/s1
InChIKeyHUJHEGKOWUZUML-HHHXNRCGSA-N
MW527.62 g/mol
LogP3.79
Rot. Bonds6

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

(3R)-N-benzyl-8-(3-methoxybenzoyl)-4-(4-methylbenzoyl)-1-oxa-4,8-diazaspiro[4.5]decane-3-carboxamide (PubChem CID 93138038) has the molecular formula C31H33N3O5 and a molecular weight of 527.62 g/mol. Its IUPAC name is (3R)-N-benzyl-8-(3-methoxybenzoyl)-4-(4-methylbenzoyl)-1-oxa-4,8-diazaspiro[4.5]decane-3-carboxamide.

Molecular Properties

Compound Name(3R)-N-benzyl-8-(3-methoxybenzoyl)-4-(4-methylbenzoyl)-1-oxa-4,8-diazaspiro[4.5]decane-3-carboxamide
PubChem CID93138038
Molecular FormulaC31H33N3O5
Molecular Weight527.62 g/mol
Exact Mass527.24
IUPAC Name(3R)-N-benzyl-8-(3-methoxybenzoyl)-4-(4-methylbenzoyl)-1-oxa-4,8-diazaspiro[4.5]decane-3-carboxamide
SMILESCOc1cccc(C(=O)N2CCC3(CC2)OC[C@H](C(=O)NCc2ccccc2)N3C(=O)c2ccc(C)cc2)c1
InChIInChI=1S/C31H33N3O5/c1-22-11-13-24(14-12-22)30(37)34-27(28(35)32-20-23-7-4-3-5-8-23)21-39-31(34)15-17-33(18-16-31)29(36)25-9-6-10-26(19-25)38-2/h3-14,19,27H,15-18,20-21H2,1-2H3,(H,32,35)/t27-/m1/s1
InChIKeyHUJHEGKOWUZUML-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
(3S)-N-benzyl-8-(3,3-dimethylbutanoyl)-4-(3-methoxybenzoyl)-1-oxa-4,8-diazaspiro[4.5]decane-3-carboxamide
CID 93138647
(3R)-N-benzyl-8-(3,3-dimethylbutanoyl)-4-(3-methoxybenzoyl)-1-oxa-4,8-diazaspiro[4.5]decane-3-carboxamide
CID 93138648
(3R)-N-benzyl-4-(4-methoxybenzoyl)-8-(2-methylbenzoyl)-1-oxa-4,8-diazaspiro[4.5]decane-3-carboxamide
CID 93137078
N-benzyl-8-(2,2-dimethylpropanoyl)-4-(4-methoxybenzoyl)-1-oxa-4,8-diazaspiro[4.5]decane-3-carboxamide
CID 71955293
(3R)-N-(furan-2-ylmethyl)-8-(4-methoxybenzoyl)-4-(4-methylbenzoyl)-1-oxa-4,8-diazaspiro[4.5]decane-3-carboxamide
CID 93137976
(3S)-8-(4-chlorobenzoyl)-4-(3-methoxybenzoyl)-N-(2-methoxyethyl)-1-oxa-4,8-diazaspiro[4.5]decane-3-carboxamide
CID 93138693
(3S)-N-benzyl-8-(4-chlorobenzoyl)-4-(3-fluorobenzoyl)-1-oxa-4,8-diazaspiro[4.5]decane-3-carboxamide
CID 98421037
8-(3-methoxybenzoyl)-4-(4-methoxybenzoyl)-N-(oxolan-2-ylmethyl)-1-oxa-4,8-diazaspiro[4.5]decane-3-carboxamide
CID 42820876
8-(3,4-dimethoxybenzoyl)-4-(4-methoxybenzoyl)-N-(pyridin-3-ylmethyl)-1-oxa-4,8-diazaspiro[4.5]decane-3-carboxamide
CID 83275460
8-(4-chlorobenzoyl)-N-[2-(dimethylamino)ethyl]-4-(3-methoxybenzoyl)-1-oxa-4,8-diazaspiro[4.5]decane-3-carboxamide
CID 46141232
(3R)-8-(3,4-dichlorobenzoyl)-N-(furan-2-ylmethyl)-4-(3-methoxybenzoyl)-1-oxa-4,8-diazaspiro[4.5]decane-3-carboxamide
CID 98420994

Frequently Asked Questions

What is the IUPAC name of (3R)-N-benzyl-8-(3-methoxybenzoyl)-4-(4-methylbenzoyl)-1-oxa-4,8-diazaspiro[4.5]decane-3-carboxamide?
The IUPAC name of (3R)-N-benzyl-8-(3-methoxybenzoyl)-4-(4-methylbenzoyl)-1-oxa-4,8-diazaspiro[4.5]decane-3-carboxamide (CID 93138038) is (3R)-N-benzyl-8-(3-methoxybenzoyl)-4-(4-methylbenzoyl)-1-oxa-4,8-diazaspiro[4.5]decane-3-carboxamide.
What is the SMILES notation for (3R)-N-benzyl-8-(3-methoxybenzoyl)-4-(4-methylbenzoyl)-1-oxa-4,8-diazaspiro[4.5]decane-3-carboxamide?
The canonical SMILES for (3R)-N-benzyl-8-(3-methoxybenzoyl)-4-(4-methylbenzoyl)-1-oxa-4,8-diazaspiro[4.5]decane-3-carboxamide is COc1cccc(C(=O)N2CCC3(CC2)OC[C@H](C(=O)NCc2ccccc2)N3C(=O)c2ccc(C)cc2)c1.
What is the InChIKey of (3R)-N-benzyl-8-(3-methoxybenzoyl)-4-(4-methylbenzoyl)-1-oxa-4,8-diazaspiro[4.5]decane-3-carboxamide?
The InChIKey is HUJHEGKOWUZUML-HHHXNRCGSA-N. The full InChI is InChI=1S/C31H33N3O5/c1-22-11-13-24(14-12-22)30(37)34-27(28(35)32-20-23-7-4-3-5-8-23)21-39-31(34)15-17-33(18-16-31)29(36)25-9-6-10-26(19-25)38-2/h3-14,19,27H,15-18,20-21H2,1-2H3,(H,32,35)/t27-/m1/s1.
What are the key properties of (3R)-N-benzyl-8-(3-methoxybenzoyl)-4-(4-methylbenzoyl)-1-oxa-4,8-diazaspiro[4.5]decane-3-carboxamide?
(3R)-N-benzyl-8-(3-methoxybenzoyl)-4-(4-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-8-(3-methoxybenzoyl)-4-(4-methylbenzoyl)-1-oxa-4,8-diazaspiro[4.5]decane-3-carboxamide is sourced from PubChem (CID 93138038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).