(3R)-4-benzoyl-N-[(2R)-butan-2-yl]-8-(4-methoxybenzoyl)-1-oxa-4,8-diazaspiro[4.5]decane-3-carboxamide

C27H33N3O5 — CID 97478128

IUPAC(3R)-4-benzoyl-N-[(2R)-butan-2-yl]-8-(4-methoxybenzoyl)-1-oxa-4,8-diazaspiro[4.5]decane-3-carboxamide
SMILESCC[C@@H](C)NC(=O)[C@H]1COC2(CCN(C(=O)c3ccc(OC)cc3)CC2)N1C(=O)c1ccccc1
InChIInChI=1S/C27H33N3O5/c1-4-19(2)28-24(31)23-18-35-27(30(23)26(33)20-8-6-5-7-9-20)14-16-29(17-15-27)25(32)21-10-12-22(34-3)13-11-21/h5-13,19,23H,4,14-18H2,1-3H3,(H,28,31)/t19-,23-/m1/s1
InChIKeyJRWHTRPXOVYJML-AUSIDOKSSA-N
MW479.58 g/mol
LogP3.08
Rot. Bonds6

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

(3R)-4-benzoyl-N-[(2R)-butan-2-yl]-8-(4-methoxybenzoyl)-1-oxa-4,8-diazaspiro[4.5]decane-3-carboxamide (PubChem CID 97478128) has the molecular formula C27H33N3O5 and a molecular weight of 479.58 g/mol. Its IUPAC name is (3R)-4-benzoyl-N-[(2R)-butan-2-yl]-8-(4-methoxybenzoyl)-1-oxa-4,8-diazaspiro[4.5]decane-3-carboxamide.

Molecular Properties

Compound Name(3R)-4-benzoyl-N-[(2R)-butan-2-yl]-8-(4-methoxybenzoyl)-1-oxa-4,8-diazaspiro[4.5]decane-3-carboxamide
PubChem CID97478128
Molecular FormulaC27H33N3O5
Molecular Weight479.58 g/mol
Exact Mass479.24
IUPAC Name(3R)-4-benzoyl-N-[(2R)-butan-2-yl]-8-(4-methoxybenzoyl)-1-oxa-4,8-diazaspiro[4.5]decane-3-carboxamide
SMILESCC[C@@H](C)NC(=O)[C@H]1COC2(CCN(C(=O)c3ccc(OC)cc3)CC2)N1C(=O)c1ccccc1
InChIInChI=1S/C27H33N3O5/c1-4-19(2)28-24(31)23-18-35-27(30(23)26(33)20-8-6-5-7-9-20)14-16-29(17-15-27)25(32)21-10-12-22(34-3)13-11-21/h5-13,19,23H,4,14-18H2,1-3H3,(H,28,31)/t19-,23-/m1/s1
InChIKeyJRWHTRPXOVYJML-AUSIDOKSSA-N
XLogP3.08
TPSA88.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.58
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-butan-2-yl-4-(4-fluorobenzoyl)-8-(4-methoxybenzoyl)-1-oxa-4,8-diazaspiro[4.5]decane-3-carboxamide
CID 71955960
(3R)-N-[(2R)-butan-2-yl]-8-(cyclobutanecarbonyl)-4-(4-methoxybenzoyl)-1-oxa-4,8-diazaspiro[4.5]decane-3-carboxamide
CID 93144435
N-butan-2-yl-8-(3-methoxybenzoyl)-4-(3-methylbenzoyl)-1-oxa-4,8-diazaspiro[4.5]decane-3-carboxamide
CID 71955315
(3R)-4-benzoyl-N-benzyl-8-(4-methoxybenzoyl)-1-oxa-4,8-diazaspiro[4.5]decane-3-carboxamide
CID 97478123
(3S)-N-[(2R)-butan-2-yl]-8-(3-methoxybenzoyl)-4-(2-methylbenzoyl)-1-oxa-4,8-diazaspiro[4.5]decane-3-carboxamide
CID 93138095
N-butan-2-yl-8-(2-chlorobenzoyl)-4-(4-fluorobenzoyl)-1-oxa-4,8-diazaspiro[4.5]decane-3-carboxamide
CID 42820785
4-(4-methoxybenzoyl)-8-(2-methylbenzoyl)-N-(1-phenylethyl)-1-oxa-4,8-diazaspiro[4.5]decane-3-carboxamide
CID 42820873
(3R)-4-(4-fluorobenzoyl)-8-(3-methoxybenzoyl)-N-propan-2-yl-1-oxa-4,8-diazaspiro[4.5]decane-3-carboxamide
CID 93136825
(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
(3R)-4-benzoyl-8-(3-methylbenzoyl)-N-propan-2-yl-1-oxa-4,8-diazaspiro[4.5]decane-3-carboxamide
CID 93137358
(3R)-4-benzoyl-8-(3-chlorobenzoyl)-N-propan-2-yl-1-oxa-4,8-diazaspiro[4.5]decane-3-carboxamide
CID 93137336

Frequently Asked Questions

What is the IUPAC name of (3R)-4-benzoyl-N-[(2R)-butan-2-yl]-8-(4-methoxybenzoyl)-1-oxa-4,8-diazaspiro[4.5]decane-3-carboxamide?
The IUPAC name of (3R)-4-benzoyl-N-[(2R)-butan-2-yl]-8-(4-methoxybenzoyl)-1-oxa-4,8-diazaspiro[4.5]decane-3-carboxamide (CID 97478128) is (3R)-4-benzoyl-N-[(2R)-butan-2-yl]-8-(4-methoxybenzoyl)-1-oxa-4,8-diazaspiro[4.5]decane-3-carboxamide.
What is the SMILES notation for (3R)-4-benzoyl-N-[(2R)-butan-2-yl]-8-(4-methoxybenzoyl)-1-oxa-4,8-diazaspiro[4.5]decane-3-carboxamide?
The canonical SMILES for (3R)-4-benzoyl-N-[(2R)-butan-2-yl]-8-(4-methoxybenzoyl)-1-oxa-4,8-diazaspiro[4.5]decane-3-carboxamide is CC[C@@H](C)NC(=O)[C@H]1COC2(CCN(C(=O)c3ccc(OC)cc3)CC2)N1C(=O)c1ccccc1.
What is the InChIKey of (3R)-4-benzoyl-N-[(2R)-butan-2-yl]-8-(4-methoxybenzoyl)-1-oxa-4,8-diazaspiro[4.5]decane-3-carboxamide?
The InChIKey is JRWHTRPXOVYJML-AUSIDOKSSA-N. The full InChI is InChI=1S/C27H33N3O5/c1-4-19(2)28-24(31)23-18-35-27(30(23)26(33)20-8-6-5-7-9-20)14-16-29(17-15-27)25(32)21-10-12-22(34-3)13-11-21/h5-13,19,23H,4,14-18H2,1-3H3,(H,28,31)/t19-,23-/m1/s1.
What are the key properties of (3R)-4-benzoyl-N-[(2R)-butan-2-yl]-8-(4-methoxybenzoyl)-1-oxa-4,8-diazaspiro[4.5]decane-3-carboxamide?
(3R)-4-benzoyl-N-[(2R)-butan-2-yl]-8-(4-methoxybenzoyl)-1-oxa-4,8-diazaspiro[4.5]decane-3-carboxamide has a molecular weight of 479.58 g/mol, XLogP of 3.08, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-4-benzoyl-N-[(2R)-butan-2-yl]-8-(4-methoxybenzoyl)-1-oxa-4,8-diazaspiro[4.5]decane-3-carboxamide is sourced from PubChem (CID 97478128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).