N-cyclopropyl-N-[9-(4-phenylbutanoyl)-1-oxa-9-azaspiro[5.5]undecan-4-yl]acetamide

C24H34N2O3 — CID 91909249

IUPACN-cyclopropyl-N-[9-(4-phenylbutanoyl)-1-oxa-9-azaspiro[5.5]undecan-4-yl]acetamide
SMILESCC(=O)N(C1CC1)C1CCOC2(CCN(C(=O)CCCc3ccccc3)CC2)C1
InChIInChI=1S/C24H34N2O3/c1-19(27)26(21-10-11-21)22-12-17-29-24(18-22)13-15-25(16-14-24)23(28)9-5-8-20-6-3-2-4-7-20/h2-4,6-7,21-22H,5,8-18H2,1H3
InChIKeyININOZQZFJOEJC-UHFFFAOYSA-N
MW398.55 g/mol
LogP3.56
Rot. Bonds6

About N-cyclopropyl-N-[9-(4-phenylbutanoyl)-1-oxa-9-azaspiro[5.5]undecan-4-yl]acetamide

N-cyclopropyl-N-[9-(4-phenylbutanoyl)-1-oxa-9-azaspiro[5.5]undecan-4-yl]acetamide (PubChem CID 91909249) has the molecular formula C24H34N2O3 and a molecular weight of 398.55 g/mol. Its IUPAC name is N-cyclopropyl-N-[9-(4-phenylbutanoyl)-1-oxa-9-azaspiro[5.5]undecan-4-yl]acetamide.

Molecular Properties

Compound NameN-cyclopropyl-N-[9-(4-phenylbutanoyl)-1-oxa-9-azaspiro[5.5]undecan-4-yl]acetamide
PubChem CID91909249
Molecular FormulaC24H34N2O3
Molecular Weight398.55 g/mol
Exact Mass398.26
IUPAC NameN-cyclopropyl-N-[9-(4-phenylbutanoyl)-1-oxa-9-azaspiro[5.5]undecan-4-yl]acetamide
SMILESCC(=O)N(C1CC1)C1CCOC2(CCN(C(=O)CCCc3ccccc3)CC2)C1
InChIInChI=1S/C24H34N2O3/c1-19(27)26(21-10-11-21)22-12-17-29-24(18-22)13-15-25(16-14-24)23(28)9-5-8-20-6-3-2-4-7-20/h2-4,6-7,21-22H,5,8-18H2,1H3
InChIKeyININOZQZFJOEJC-UHFFFAOYSA-N
XLogP3.56
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.55
LogP ≤ 53.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze N-cyclopropyl-N-[9-(4-phenylbutanoyl)-1-oxa-9-azaspiro[5.5]undecan-4-yl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[3-(2,2-dimethyltetrahydro-2H-pyran-4-yl)-4-phenylbutanoyl]pyrrolidine
CID 3795985
Ethyl 1'-acetyl-4-(3-phenylpropyl)-1,4'-bipiperidine-4-carboxylate
CID 16189220
1-[4-[Cyclopropyl-[(4-fluorophenyl)methyl]amino]-1-oxa-9-azaspiro[5.5]undecan-9-yl]-2,2-dimethylbutan-1-one
CID 91919185
3-(2,2-dimethyloxan-4-yl)-3-phenyl-N,N-dipropylpropanamide
CID 2957681
N-(2-cyanoethyl)-3-(2,2-dimethyltetrahydro-2H-pyran-4-yl)-N-methyl-4-phenylbutanamide
CID 4041116
2-(3-Fluorophenyl)-1-{1-oxa-9-azaspiro[5.5]undecan-9-YL}ethan-1-one
CID 110203850
Ethyl 1'-acetyl-3-benzyl-1,4'-bipiperidine-3-carboxylate
CID 16190513
1-{4-[Benzyl(cyclopropyl)amino]-1-oxa-9-azaspiro[5.5]undecan-9-YL}-2-(4-fluorophenyl)ethan-1-one
CID 91908293
3-Cyclopentyl-1-{4-[cyclopropyl(4-fluorobenzyl)amino]-1-oxa-9-azaspiro[5.5]undec-9-yl}-1-propanone
CID 91919171
2-Cyclopentyl-1-(4-{cyclopropyl[(4-fluorophenyl)methyl]amino}-1-oxa-9-azaspiro[5.5]undecan-9-YL)ethan-1-one
CID 91919177
9-Cyclohexanecarbonyl-N-cyclopropyl-N-[(4-fluorophenyl)methyl]-1-oxa-9-azaspiro[5.5]undecan-4-amine
CID 91919179
1-(4-{Cyclopropyl[(4-fluorophenyl)methyl]amino}-1-oxa-9-azaspiro[5.5]undecan-9-YL)-2-ethylbutan-1-one
CID 91919181

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-N-[9-(4-phenylbutanoyl)-1-oxa-9-azaspiro[5.5]undecan-4-yl]acetamide?
The IUPAC name of N-cyclopropyl-N-[9-(4-phenylbutanoyl)-1-oxa-9-azaspiro[5.5]undecan-4-yl]acetamide (CID 91909249) is N-cyclopropyl-N-[9-(4-phenylbutanoyl)-1-oxa-9-azaspiro[5.5]undecan-4-yl]acetamide.
What is the SMILES notation for N-cyclopropyl-N-[9-(4-phenylbutanoyl)-1-oxa-9-azaspiro[5.5]undecan-4-yl]acetamide?
The canonical SMILES for N-cyclopropyl-N-[9-(4-phenylbutanoyl)-1-oxa-9-azaspiro[5.5]undecan-4-yl]acetamide is CC(=O)N(C1CC1)C1CCOC2(CCN(C(=O)CCCc3ccccc3)CC2)C1.
What is the InChIKey of N-cyclopropyl-N-[9-(4-phenylbutanoyl)-1-oxa-9-azaspiro[5.5]undecan-4-yl]acetamide?
The InChIKey is ININOZQZFJOEJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H34N2O3/c1-19(27)26(21-10-11-21)22-12-17-29-24(18-22)13-15-25(16-14-24)23(28)9-5-8-20-6-3-2-4-7-20/h2-4,6-7,21-22H,5,8-18H2,1H3.
What are the key properties of N-cyclopropyl-N-[9-(4-phenylbutanoyl)-1-oxa-9-azaspiro[5.5]undecan-4-yl]acetamide?
N-cyclopropyl-N-[9-(4-phenylbutanoyl)-1-oxa-9-azaspiro[5.5]undecan-4-yl]acetamide has a molecular weight of 398.55 g/mol, XLogP of 3.56, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-N-[9-(4-phenylbutanoyl)-1-oxa-9-azaspiro[5.5]undecan-4-yl]acetamide is sourced from PubChem (CID 91909249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).