N-[9-(3,5-dimethylbenzoyl)-1-oxa-9-azaspiro[5.5]undecan-4-yl]cyclopropanecarboxamide

C22H30N2O3 — CID 131680205

IUPACN-[9-(3,5-dimethylbenzoyl)-1-oxa-9-azaspiro[5.5]undecan-4-yl]cyclopropanecarboxamide
SMILESCc1cc(C)cc(C(=O)N2CCC3(CC2)CC(NC(=O)C2CC2)CCO3)c1
InChIInChI=1S/C22H30N2O3/c1-15-11-16(2)13-18(12-15)21(26)24-8-6-22(7-9-24)14-19(5-10-27-22)23-20(25)17-3-4-17/h11-13,17,19H,3-10,14H2,1-2H3,(H,23,25)
InChIKeyAHIMDSHLKVYUIN-UHFFFAOYSA-N
MW370.49 g/mol
LogP2.98
Rot. Bonds3

About N-[9-(3,5-dimethylbenzoyl)-1-oxa-9-azaspiro[5.5]undecan-4-yl]cyclopropanecarboxamide

N-[9-(3,5-dimethylbenzoyl)-1-oxa-9-azaspiro[5.5]undecan-4-yl]cyclopropanecarboxamide (PubChem CID 131680205) has the molecular formula C22H30N2O3 and a molecular weight of 370.49 g/mol. Its IUPAC name is N-[9-(3,5-dimethylbenzoyl)-1-oxa-9-azaspiro[5.5]undecan-4-yl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[9-(3,5-dimethylbenzoyl)-1-oxa-9-azaspiro[5.5]undecan-4-yl]cyclopropanecarboxamide
PubChem CID131680205
Molecular FormulaC22H30N2O3
Molecular Weight370.49 g/mol
Exact Mass370.23
IUPAC NameN-[9-(3,5-dimethylbenzoyl)-1-oxa-9-azaspiro[5.5]undecan-4-yl]cyclopropanecarboxamide
SMILESCc1cc(C)cc(C(=O)N2CCC3(CC2)CC(NC(=O)C2CC2)CCO3)c1
InChIInChI=1S/C22H30N2O3/c1-15-11-16(2)13-18(12-15)21(26)24-8-6-22(7-9-24)14-19(5-10-27-22)23-20(25)17-3-4-17/h11-13,17,19H,3-10,14H2,1-2H3,(H,23,25)
InChIKeyAHIMDSHLKVYUIN-UHFFFAOYSA-N
XLogP2.98
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.49
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[9-(3,5-dimethylbenzoyl)-1-oxa-9-azaspiro[5.5]undecan-4-yl]cyclopropanecarboxamide 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

(3,5-dimethylphenyl)-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone
CID 17250049
N-[(4R)-9-[(3-methyl-2-pyridinyl)methyl]-1-oxa-9-azaspiro[5.5]undecan-4-yl]cyclopropanecarboxamide
CID 98897720
[8-(3,5-dimethylbenzoyl)-1-oxa-8-azaspiro[4.5]decan-2-yl]-pyrrolidin-1-ylmethanone
CID 134076509
3-[[(5S,9R)-2,6-dioxaspiro[4.5]decan-9-yl]carbamoyl]-5-methylbenzoic acid
CID 129468061
N-[(4S)-9-[(4-cyanophenyl)methyl]-1-oxa-9-azaspiro[5.5]undecan-4-yl]cyclopropanecarboxamide
CID 98897002
(3R)-N-cyclooctyl-1-(3,5-dimethylbenzoyl)piperidine-3-carboxamide
CID 94082784
(3-methylphenyl)-[(4R)-4-(4-propan-2-ylpiperazin-1-yl)-1-oxa-9-azaspiro[5.5]undecan-9-yl]methanone
CID 125462207
N-[9-[(3-methyl-2-pyridinyl)methyl]-1-oxa-9-azaspiro[5.5]undecan-4-yl]cyclopropanecarboxamide;bis(2,2,2-trifluoroacetic acid)
CID 155853896
(3-methylphenyl)-[(4S)-4-(4-phenylpiperazin-1-yl)-1-oxa-9-azaspiro[5.5]undecan-9-yl]methanone
CID 125462402
(2,6-dimethyl-4-pyridinyl)-[(5R,9R)-9-pyrrolidin-1-yl-6-oxa-2-azaspiro[4.5]decan-2-yl]methanone
CID 97477597
[4-(cyclopropylmethoxy)-1-oxa-9-azaspiro[5.5]undecan-9-yl]-(3-methylphenyl)methanone
CID 91918024
N-cyclohexyl-2-(3,5-dimethylbenzoyl)-8-oxa-2-azaspiro[4.5]decane-4-carboxamide
CID 91912661

Frequently Asked Questions

What is the IUPAC name of N-[9-(3,5-dimethylbenzoyl)-1-oxa-9-azaspiro[5.5]undecan-4-yl]cyclopropanecarboxamide?
The IUPAC name of N-[9-(3,5-dimethylbenzoyl)-1-oxa-9-azaspiro[5.5]undecan-4-yl]cyclopropanecarboxamide (CID 131680205) is N-[9-(3,5-dimethylbenzoyl)-1-oxa-9-azaspiro[5.5]undecan-4-yl]cyclopropanecarboxamide.
What is the SMILES notation for N-[9-(3,5-dimethylbenzoyl)-1-oxa-9-azaspiro[5.5]undecan-4-yl]cyclopropanecarboxamide?
The canonical SMILES for N-[9-(3,5-dimethylbenzoyl)-1-oxa-9-azaspiro[5.5]undecan-4-yl]cyclopropanecarboxamide is Cc1cc(C)cc(C(=O)N2CCC3(CC2)CC(NC(=O)C2CC2)CCO3)c1.
What is the InChIKey of N-[9-(3,5-dimethylbenzoyl)-1-oxa-9-azaspiro[5.5]undecan-4-yl]cyclopropanecarboxamide?
The InChIKey is AHIMDSHLKVYUIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N2O3/c1-15-11-16(2)13-18(12-15)21(26)24-8-6-22(7-9-24)14-19(5-10-27-22)23-20(25)17-3-4-17/h11-13,17,19H,3-10,14H2,1-2H3,(H,23,25).
What are the key properties of N-[9-(3,5-dimethylbenzoyl)-1-oxa-9-azaspiro[5.5]undecan-4-yl]cyclopropanecarboxamide?
N-[9-(3,5-dimethylbenzoyl)-1-oxa-9-azaspiro[5.5]undecan-4-yl]cyclopropanecarboxamide has a molecular weight of 370.49 g/mol, XLogP of 2.98, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[9-(3,5-dimethylbenzoyl)-1-oxa-9-azaspiro[5.5]undecan-4-yl]cyclopropanecarboxamide is sourced from PubChem (CID 131680205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).