N-(cyclopropylmethyl)-6-(3-methoxybenzoyl)-6-azaspiro[3.4]octane-8-carboxamide

C20H26N2O3 — CID 155881364

IUPACN-(cyclopropylmethyl)-6-(3-methoxybenzoyl)-6-azaspiro[3.4]octane-8-carboxamide
SMILESCOc1cccc(C(=O)N2CC(C(=O)NCC3CC3)C3(CCC3)C2)c1
InChIInChI=1S/C20H26N2O3/c1-25-16-5-2-4-15(10-16)19(24)22-12-17(20(13-22)8-3-9-20)18(23)21-11-14-6-7-14/h2,4-5,10,14,17H,3,6-9,11-13H2,1H3,(H,21,23)
InChIKeyRQMOMHOQHRZEKF-UHFFFAOYSA-N
MW342.44 g/mol
LogP2.46
Rot. Bonds5

About N-(cyclopropylmethyl)-6-(3-methoxybenzoyl)-6-azaspiro[3.4]octane-8-carboxamide

N-(cyclopropylmethyl)-6-(3-methoxybenzoyl)-6-azaspiro[3.4]octane-8-carboxamide (PubChem CID 155881364) has the molecular formula C20H26N2O3 and a molecular weight of 342.44 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-6-(3-methoxybenzoyl)-6-azaspiro[3.4]octane-8-carboxamide.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-6-(3-methoxybenzoyl)-6-azaspiro[3.4]octane-8-carboxamide
PubChem CID155881364
Molecular FormulaC20H26N2O3
Molecular Weight342.44 g/mol
Exact Mass342.19
IUPAC NameN-(cyclopropylmethyl)-6-(3-methoxybenzoyl)-6-azaspiro[3.4]octane-8-carboxamide
SMILESCOc1cccc(C(=O)N2CC(C(=O)NCC3CC3)C3(CCC3)C2)c1
InChIInChI=1S/C20H26N2O3/c1-25-16-5-2-4-15(10-16)19(24)22-12-17(20(13-22)8-3-9-20)18(23)21-11-14-6-7-14/h2,4-5,10,14,17H,3,6-9,11-13H2,1H3,(H,21,23)
InChIKeyRQMOMHOQHRZEKF-UHFFFAOYSA-N
XLogP2.46
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.44
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(cyclopropylmethyl)-6-(2,4-difluorobenzoyl)-6-azaspiro[3.4]octane-8-carboxamide
CID 154579518
[2-(3-methoxybenzoyl)-8-oxa-2-azaspiro[4.5]decan-4-yl]-pyrrolidin-1-ylmethanone
CID 131654519
3-[6-(3-methoxybenzoyl)-6-azaspiro[3.4]octan-8-yl]-1-pyrrolidin-1-ylpropan-1-one
CID 154579632
3-methoxy-N-[[1-(3-methoxybenzoyl)piperidin-4-yl]methyl]benzamide
CID 17385439
(3R,4S)-N-(cyclopropylmethyl)-1-(3-methoxybenzoyl)-4-(2-methylphenyl)pyrrolidine-3-carboxamide
CID 93152080
N-(cyclopropylmethyl)-2-(furan-3-carbonyl)-8-oxa-2-azaspiro[4.5]decane-4-carboxamide
CID 131649912
methyl 3-[(2-benzoyl-2-azaspiro[4.5]decane-4-carbonyl)amino]propanoate
CID 53184577
6-[2-(3-methoxyphenyl)acetyl]-N-(pyridin-4-ylmethyl)-6-azaspiro[3.4]octane-8-carboxamide
CID 154579491
(3S,4R)-N-(cyclopropylmethyl)-4-(2,3-dimethoxyphenyl)-1-(3-methoxybenzoyl)pyrrolidine-3-carboxamide
CID 93152392
1-(3-methoxybenzoyl)-N-[[(2R)-oxolan-2-yl]methyl]piperidine-4-carboxamide
CID 124749040
1-(3-methoxybenzoyl)-N-[[(2S)-oxolan-2-yl]methyl]piperidine-4-carboxamide
CID 124749039
(3-hydroxyazetidin-1-yl)-(3-methoxyphenyl)methanone
CID 63107497

Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-6-(3-methoxybenzoyl)-6-azaspiro[3.4]octane-8-carboxamide?
The IUPAC name of N-(cyclopropylmethyl)-6-(3-methoxybenzoyl)-6-azaspiro[3.4]octane-8-carboxamide (CID 155881364) is N-(cyclopropylmethyl)-6-(3-methoxybenzoyl)-6-azaspiro[3.4]octane-8-carboxamide.
What is the SMILES notation for N-(cyclopropylmethyl)-6-(3-methoxybenzoyl)-6-azaspiro[3.4]octane-8-carboxamide?
The canonical SMILES for N-(cyclopropylmethyl)-6-(3-methoxybenzoyl)-6-azaspiro[3.4]octane-8-carboxamide is COc1cccc(C(=O)N2CC(C(=O)NCC3CC3)C3(CCC3)C2)c1.
What is the InChIKey of N-(cyclopropylmethyl)-6-(3-methoxybenzoyl)-6-azaspiro[3.4]octane-8-carboxamide?
The InChIKey is RQMOMHOQHRZEKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O3/c1-25-16-5-2-4-15(10-16)19(24)22-12-17(20(13-22)8-3-9-20)18(23)21-11-14-6-7-14/h2,4-5,10,14,17H,3,6-9,11-13H2,1H3,(H,21,23).
What are the key properties of N-(cyclopropylmethyl)-6-(3-methoxybenzoyl)-6-azaspiro[3.4]octane-8-carboxamide?
N-(cyclopropylmethyl)-6-(3-methoxybenzoyl)-6-azaspiro[3.4]octane-8-carboxamide has a molecular weight of 342.44 g/mol, XLogP of 2.46, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-6-(3-methoxybenzoyl)-6-azaspiro[3.4]octane-8-carboxamide is sourced from PubChem (CID 155881364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).