4-benzoyl-8-(2-methylpropanoyl)-N-prop-2-enyl-1-oxa-4,8-diazaspiro[4.5]decane-3-carboxamide

C22H29N3O4 — CID 42882224

IUPAC4-benzoyl-8-(2-methylpropanoyl)-N-prop-2-enyl-1-oxa-4,8-diazaspiro[4.5]decane-3-carboxamide
SMILESC=CCNC(=O)C1COC2(CCN(C(=O)C(C)C)CC2)N1C(=O)c1ccccc1
InChIInChI=1S/C22H29N3O4/c1-4-12-23-19(26)18-15-29-22(10-13-24(14-11-22)20(27)16(2)3)25(18)21(28)17-8-6-5-7-9-17/h4-9,16,18H,1,10-15H2,2-3H3,(H,23,26)
InChIKeyPTLUDBJNPWBZCL-UHFFFAOYSA-N
MW399.49 g/mol
LogP1.80
Rot. Bonds5

About 4-benzoyl-8-(2-methylpropanoyl)-N-prop-2-enyl-1-oxa-4,8-diazaspiro[4.5]decane-3-carboxamide

4-benzoyl-8-(2-methylpropanoyl)-N-prop-2-enyl-1-oxa-4,8-diazaspiro[4.5]decane-3-carboxamide (PubChem CID 42882224) has the molecular formula C22H29N3O4 and a molecular weight of 399.49 g/mol. Its IUPAC name is 4-benzoyl-8-(2-methylpropanoyl)-N-prop-2-enyl-1-oxa-4,8-diazaspiro[4.5]decane-3-carboxamide.

Molecular Properties

Compound Name4-benzoyl-8-(2-methylpropanoyl)-N-prop-2-enyl-1-oxa-4,8-diazaspiro[4.5]decane-3-carboxamide
PubChem CID42882224
Molecular FormulaC22H29N3O4
Molecular Weight399.49 g/mol
Exact Mass399.22
IUPAC Name4-benzoyl-8-(2-methylpropanoyl)-N-prop-2-enyl-1-oxa-4,8-diazaspiro[4.5]decane-3-carboxamide
SMILESC=CCNC(=O)C1COC2(CCN(C(=O)C(C)C)CC2)N1C(=O)c1ccccc1
InChIInChI=1S/C22H29N3O4/c1-4-12-23-19(26)18-15-29-22(10-13-24(14-11-22)20(27)16(2)3)25(18)21(28)17-8-6-5-7-9-17/h4-9,16,18H,1,10-15H2,2-3H3,(H,23,26)
InChIKeyPTLUDBJNPWBZCL-UHFFFAOYSA-N
XLogP1.80
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.49
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N-(1,3-benzodioxol-5-ylmethyl)-4-benzoyl-8-(2-methylpropanoyl)-1-oxa-4,8-diazaspiro[4.5]decane-3-carboxamide
CID 71955557
4-(2-methylbenzoyl)-8-(2-methylpropanoyl)-N-(oxolan-2-ylmethyl)-1-oxa-4,8-diazaspiro[4.5]decane-3-carboxamide
CID 42821011
4-(furan-2-carbonyl)-N-(furan-2-ylmethyl)-8-(2-methylpropanoyl)-1-oxa-4,8-diazaspiro[4.5]decane-3-carboxamide
CID 42821086
(3R)-4-benzoyl-8-(2-methylbenzoyl)-N-propyl-1-oxa-4,8-diazaspiro[4.5]decane-3-carboxamide
CID 93137292
1-[4-benzoyl-3-(2-methylpiperidine-1-carbonyl)-1-oxa-4,8-diazaspiro[4.5]decan-8-yl]-2-methylpropan-1-one
CID 46110693
8-(1,3-benzodioxole-5-carbonyl)-4-benzoyl-N-(2-methylpropyl)-1-oxa-4,8-diazaspiro[4.5]decane-3-carboxamide
CID 42820937
(3S)-4-benzoyl-N-[2-(dimethylamino)ethyl]-8-(4-fluorobenzoyl)-1-oxa-4,8-diazaspiro[4.5]decane-3-carboxamide
CID 93137163
1-[(3R)-4-benzoyl-3-[4-(2-fluorophenyl)piperazine-1-carbonyl]-1-oxa-4,8-diazaspiro[4.5]decan-8-yl]-2-methylpropan-1-one
CID 93019050
(3R)-4-benzoyl-N-benzyl-8-(4-methoxybenzoyl)-1-oxa-4,8-diazaspiro[4.5]decane-3-carboxamide
CID 97478123
(3R)-4-benzoyl-N-[(2R)-butan-2-yl]-8-(4-methoxybenzoyl)-1-oxa-4,8-diazaspiro[4.5]decane-3-carboxamide
CID 97478128
(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 4-benzoyl-8-(2-methylpropanoyl)-N-prop-2-enyl-1-oxa-4,8-diazaspiro[4.5]decane-3-carboxamide?
The IUPAC name of 4-benzoyl-8-(2-methylpropanoyl)-N-prop-2-enyl-1-oxa-4,8-diazaspiro[4.5]decane-3-carboxamide (CID 42882224) is 4-benzoyl-8-(2-methylpropanoyl)-N-prop-2-enyl-1-oxa-4,8-diazaspiro[4.5]decane-3-carboxamide.
What is the SMILES notation for 4-benzoyl-8-(2-methylpropanoyl)-N-prop-2-enyl-1-oxa-4,8-diazaspiro[4.5]decane-3-carboxamide?
The canonical SMILES for 4-benzoyl-8-(2-methylpropanoyl)-N-prop-2-enyl-1-oxa-4,8-diazaspiro[4.5]decane-3-carboxamide is C=CCNC(=O)C1COC2(CCN(C(=O)C(C)C)CC2)N1C(=O)c1ccccc1.
What is the InChIKey of 4-benzoyl-8-(2-methylpropanoyl)-N-prop-2-enyl-1-oxa-4,8-diazaspiro[4.5]decane-3-carboxamide?
The InChIKey is PTLUDBJNPWBZCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N3O4/c1-4-12-23-19(26)18-15-29-22(10-13-24(14-11-22)20(27)16(2)3)25(18)21(28)17-8-6-5-7-9-17/h4-9,16,18H,1,10-15H2,2-3H3,(H,23,26).
What are the key properties of 4-benzoyl-8-(2-methylpropanoyl)-N-prop-2-enyl-1-oxa-4,8-diazaspiro[4.5]decane-3-carboxamide?
4-benzoyl-8-(2-methylpropanoyl)-N-prop-2-enyl-1-oxa-4,8-diazaspiro[4.5]decane-3-carboxamide has a molecular weight of 399.49 g/mol, XLogP of 1.80, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzoyl-8-(2-methylpropanoyl)-N-prop-2-enyl-1-oxa-4,8-diazaspiro[4.5]decane-3-carboxamide is sourced from PubChem (CID 42882224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).