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

C25H35N3O5 — CID 93144435

IUPAC(3R)-N-[(2R)-butan-2-yl]-8-(cyclobutanecarbonyl)-4-(4-methoxybenzoyl)-1-oxa-4,8-diazaspiro[4.5]decane-3-carboxamide
SMILESCC[C@@H](C)NC(=O)[C@H]1COC2(CCN(C(=O)C3CCC3)CC2)N1C(=O)c1ccc(OC)cc1
InChIInChI=1S/C25H35N3O5/c1-4-17(2)26-22(29)21-16-33-25(12-14-27(15-13-25)23(30)18-6-5-7-18)28(21)24(31)19-8-10-20(32-3)11-9-19/h8-11,17-18,21H,4-7,12-16H2,1-3H3,(H,26,29)/t17-,21-/m1/s1
InChIKeyLOAIUGBUQITOCB-DYESRHJHSA-N
MW457.57 g/mol
LogP2.57
Rot. Bonds6

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

(3R)-N-[(2R)-butan-2-yl]-8-(cyclobutanecarbonyl)-4-(4-methoxybenzoyl)-1-oxa-4,8-diazaspiro[4.5]decane-3-carboxamide (PubChem CID 93144435) has the molecular formula C25H35N3O5 and a molecular weight of 457.57 g/mol. Its IUPAC name is (3R)-N-[(2R)-butan-2-yl]-8-(cyclobutanecarbonyl)-4-(4-methoxybenzoyl)-1-oxa-4,8-diazaspiro[4.5]decane-3-carboxamide.

Molecular Properties

Compound Name(3R)-N-[(2R)-butan-2-yl]-8-(cyclobutanecarbonyl)-4-(4-methoxybenzoyl)-1-oxa-4,8-diazaspiro[4.5]decane-3-carboxamide
PubChem CID93144435
Molecular FormulaC25H35N3O5
Molecular Weight457.57 g/mol
Exact Mass457.26
IUPAC Name(3R)-N-[(2R)-butan-2-yl]-8-(cyclobutanecarbonyl)-4-(4-methoxybenzoyl)-1-oxa-4,8-diazaspiro[4.5]decane-3-carboxamide
SMILESCC[C@@H](C)NC(=O)[C@H]1COC2(CCN(C(=O)C3CCC3)CC2)N1C(=O)c1ccc(OC)cc1
InChIInChI=1S/C25H35N3O5/c1-4-17(2)26-22(29)21-16-33-25(12-14-27(15-13-25)23(30)18-6-5-7-18)28(21)24(31)19-8-10-20(32-3)11-9-19/h8-11,17-18,21H,4-7,12-16H2,1-3H3,(H,26,29)/t17-,21-/m1/s1
InChIKeyLOAIUGBUQITOCB-DYESRHJHSA-N
XLogP2.57
TPSA88.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.57
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

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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)-4-benzoyl-N-[(2R)-butan-2-yl]-8-(4-methoxybenzoyl)-1-oxa-4,8-diazaspiro[4.5]decane-3-carboxamide
CID 97478128
cyclobutyl-[4-(4-methoxybenzoyl)-3-(pyrrolidine-1-carbonyl)-1-oxa-4,8-diazaspiro[4.5]decan-8-yl]methanone
CID 71956163
(3S)-8-(cyclobutanecarbonyl)-4-(4-methoxybenzoyl)-N-[[(2R)-oxolan-2-yl]methyl]-1-oxa-4,8-diazaspiro[4.5]decane-3-carboxamide
CID 93144439
(3R)-8-(cyclobutanecarbonyl)-4-(4-methoxybenzoyl)-N-[[(2S)-oxolan-2-yl]methyl]-1-oxa-4,8-diazaspiro[4.5]decane-3-carboxamide
CID 93144438
8-(cyclobutanecarbonyl)-4-(4-methoxybenzoyl)-N-(pyridin-2-ylmethyl)-1-oxa-4,8-diazaspiro[4.5]decane-3-carboxamide
CID 83285217
N-butan-2-yl-8-(2-chlorobenzoyl)-4-(4-fluorobenzoyl)-1-oxa-4,8-diazaspiro[4.5]decane-3-carboxamide
CID 42820785
ethyl 1-[4-(4-methoxybenzoyl)-8-(3-methylbutanoyl)-1-oxa-4,8-diazaspiro[4.5]decane-3-carbonyl]piperidine-4-carboxylate
CID 71956138
(3S)-N-[(2R)-butan-2-yl]-8-(3-methoxybenzoyl)-4-(2-methylbenzoyl)-1-oxa-4,8-diazaspiro[4.5]decane-3-carboxamide
CID 93138095
(3S)-4,8-bis(4-methoxybenzoyl)-N-(2-methoxyethyl)-1-oxa-4,8-diazaspiro[4.5]decane-3-carboxamide
CID 93136999
(3R)-4-(4-fluorobenzoyl)-8-(3-methoxybenzoyl)-N-propan-2-yl-1-oxa-4,8-diazaspiro[4.5]decane-3-carboxamide
CID 93136825
N-benzyl-8-(cyclobutanecarbonyl)-4-(4-fluorobenzoyl)-1-oxa-4,8-diazaspiro[4.5]decane-3-carboxamide
CID 42820775

Frequently Asked Questions

What is the IUPAC name of (3R)-N-[(2R)-butan-2-yl]-8-(cyclobutanecarbonyl)-4-(4-methoxybenzoyl)-1-oxa-4,8-diazaspiro[4.5]decane-3-carboxamide?
The IUPAC name of (3R)-N-[(2R)-butan-2-yl]-8-(cyclobutanecarbonyl)-4-(4-methoxybenzoyl)-1-oxa-4,8-diazaspiro[4.5]decane-3-carboxamide (CID 93144435) is (3R)-N-[(2R)-butan-2-yl]-8-(cyclobutanecarbonyl)-4-(4-methoxybenzoyl)-1-oxa-4,8-diazaspiro[4.5]decane-3-carboxamide.
What is the SMILES notation for (3R)-N-[(2R)-butan-2-yl]-8-(cyclobutanecarbonyl)-4-(4-methoxybenzoyl)-1-oxa-4,8-diazaspiro[4.5]decane-3-carboxamide?
The canonical SMILES for (3R)-N-[(2R)-butan-2-yl]-8-(cyclobutanecarbonyl)-4-(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)C3CCC3)CC2)N1C(=O)c1ccc(OC)cc1.
What is the InChIKey of (3R)-N-[(2R)-butan-2-yl]-8-(cyclobutanecarbonyl)-4-(4-methoxybenzoyl)-1-oxa-4,8-diazaspiro[4.5]decane-3-carboxamide?
The InChIKey is LOAIUGBUQITOCB-DYESRHJHSA-N. The full InChI is InChI=1S/C25H35N3O5/c1-4-17(2)26-22(29)21-16-33-25(12-14-27(15-13-25)23(30)18-6-5-7-18)28(21)24(31)19-8-10-20(32-3)11-9-19/h8-11,17-18,21H,4-7,12-16H2,1-3H3,(H,26,29)/t17-,21-/m1/s1.
What are the key properties of (3R)-N-[(2R)-butan-2-yl]-8-(cyclobutanecarbonyl)-4-(4-methoxybenzoyl)-1-oxa-4,8-diazaspiro[4.5]decane-3-carboxamide?
(3R)-N-[(2R)-butan-2-yl]-8-(cyclobutanecarbonyl)-4-(4-methoxybenzoyl)-1-oxa-4,8-diazaspiro[4.5]decane-3-carboxamide has a molecular weight of 457.57 g/mol, XLogP of 2.57, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-[(2R)-butan-2-yl]-8-(cyclobutanecarbonyl)-4-(4-methoxybenzoyl)-1-oxa-4,8-diazaspiro[4.5]decane-3-carboxamide is sourced from PubChem (CID 93144435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).