(1S,5R)-5-[(3-methylbenzoyl)amino]bicyclo[3.2.1]octane-1-carboxamide

C17H22N2O2 — CID 70498375

IUPAC(1S,5R)-5-[(3-methylbenzoyl)amino]bicyclo[3.2.1]octane-1-carboxamide
SMILESCc1cccc(C(=O)N[C@]23CCC[C@](C(N)=O)(CC2)C3)c1
InChIInChI=1S/C17H22N2O2/c1-12-4-2-5-13(10-12)14(20)19-17-7-3-6-16(11-17,8-9-17)15(18)21/h2,4-5,10H,3,6-9,11H2,1H3,(H2,18,21)(H,19,20)/t16-,17+/m0/s1
InChIKeyLKKVJWJUNOVWBS-DLBZAZTESA-N
MW286.37 g/mol
LogP2.30
Rot. Bonds3

About (1S,5R)-5-[(3-methylbenzoyl)amino]bicyclo[3.2.1]octane-1-carboxamide

(1S,5R)-5-[(3-methylbenzoyl)amino]bicyclo[3.2.1]octane-1-carboxamide (PubChem CID 70498375) has the molecular formula C17H22N2O2 and a molecular weight of 286.37 g/mol. Its IUPAC name is (1S,5R)-5-[(3-methylbenzoyl)amino]bicyclo[3.2.1]octane-1-carboxamide.

Molecular Properties

Compound Name(1S,5R)-5-[(3-methylbenzoyl)amino]bicyclo[3.2.1]octane-1-carboxamide
PubChem CID70498375
Molecular FormulaC17H22N2O2
Molecular Weight286.37 g/mol
Exact Mass286.17
IUPAC Name(1S,5R)-5-[(3-methylbenzoyl)amino]bicyclo[3.2.1]octane-1-carboxamide
SMILESCc1cccc(C(=O)N[C@]23CCC[C@](C(N)=O)(CC2)C3)c1
InChIInChI=1S/C17H22N2O2/c1-12-4-2-5-13(10-12)14(20)19-17-7-3-6-16(11-17,8-9-17)15(18)21/h2,4-5,10H,3,6-9,11H2,1H3,(H2,18,21)(H,19,20)/t16-,17+/m0/s1
InChIKeyLKKVJWJUNOVWBS-DLBZAZTESA-N
XLogP2.30
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.37
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze (1S,5R)-5-[(3-methylbenzoyl)amino]bicyclo[3.2.1]octane-1-carboxamide with MolForge

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Related Compounds

N-[5-[(3-fluorobenzoyl)amino]-1-bicyclo[3.2.1]octanyl]-3-methylbenzamide
CID 57406298
N-[5-[(3-methylbenzoyl)amino]-1-bicyclo[3.2.1]octanyl]pyridine-3-carboxamide
CID 70497716
2-methyl-N-[5-[(3-methylbenzoyl)amino]-1-bicyclo[3.2.1]octanyl]pyrimidine-4-carboxamide
CID 57406485
6-methyl-N-[5-[(3-methylbenzoyl)amino]-1-bicyclo[3.2.1]octanyl]pyrazine-2-carboxamide
CID 70497797
N-[(1R,5S)-5-carbamoyl-1-bicyclo[3.2.1]octanyl]-3,5-difluoropyridine-2-carboxamide
CID 70498382
(1-aminocyclobutyl)-(3-methylphenyl)methanone
CID 116598453
2-[1-[(3-methylbenzoyl)amino]cyclobutyl]acetic acid
CID 79848230
N-[5-[(3-chlorobenzoyl)amino]-1-bicyclo[3.2.1]octanyl]-4-methylpyridine-2-carboxamide
CID 57406121
3-methyl-N-[5-[2-(6-methylpyrazin-2-yl)-2-oxoethyl]-1-bicyclo[3.2.1]octanyl]benzamide
CID 147821250
methyl 1-(3-methylbenzoyl)cyclobutane-1-carboxylate
CID 116922080
N-[1-(hydroxymethyl)cyclohexyl]-3-methylbenzamide
CID 62520382
N-[1-(4-fluorophenyl)cyclobutyl]-3-methylbenzamide
CID 110441487

Frequently Asked Questions

What is the IUPAC name of (1S,5R)-5-[(3-methylbenzoyl)amino]bicyclo[3.2.1]octane-1-carboxamide?
The IUPAC name of (1S,5R)-5-[(3-methylbenzoyl)amino]bicyclo[3.2.1]octane-1-carboxamide (CID 70498375) is (1S,5R)-5-[(3-methylbenzoyl)amino]bicyclo[3.2.1]octane-1-carboxamide.
What is the SMILES notation for (1S,5R)-5-[(3-methylbenzoyl)amino]bicyclo[3.2.1]octane-1-carboxamide?
The canonical SMILES for (1S,5R)-5-[(3-methylbenzoyl)amino]bicyclo[3.2.1]octane-1-carboxamide is Cc1cccc(C(=O)N[C@]23CCC[C@](C(N)=O)(CC2)C3)c1.
What is the InChIKey of (1S,5R)-5-[(3-methylbenzoyl)amino]bicyclo[3.2.1]octane-1-carboxamide?
The InChIKey is LKKVJWJUNOVWBS-DLBZAZTESA-N. The full InChI is InChI=1S/C17H22N2O2/c1-12-4-2-5-13(10-12)14(20)19-17-7-3-6-16(11-17,8-9-17)15(18)21/h2,4-5,10H,3,6-9,11H2,1H3,(H2,18,21)(H,19,20)/t16-,17+/m0/s1.
What are the key properties of (1S,5R)-5-[(3-methylbenzoyl)amino]bicyclo[3.2.1]octane-1-carboxamide?
(1S,5R)-5-[(3-methylbenzoyl)amino]bicyclo[3.2.1]octane-1-carboxamide has a molecular weight of 286.37 g/mol, XLogP of 2.30, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,5R)-5-[(3-methylbenzoyl)amino]bicyclo[3.2.1]octane-1-carboxamide is sourced from PubChem (CID 70498375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).