N-(2-methylpropyl)-3-oxo-4-azatricyclo[5.3.1.04,11]undeca-1(10),7(11),8-triene-9-carboxamide

C15H18N2O2 — CID 110384354

IUPACN-(2-methylpropyl)-3-oxo-4-azatricyclo[5.3.1.04,11]undeca-1(10),7(11),8-triene-9-carboxamide
SMILESCC(C)CNC(=O)c1cc2c3c(c1)CC(=O)N3CC2
InChIInChI=1S/C15H18N2O2/c1-9(2)8-16-15(19)12-5-10-3-4-17-13(18)7-11(6-12)14(10)17/h5-6,9H,3-4,7-8H2,1-2H3,(H,16,19)
InChIKeyGNEHJWCVVYOJGA-UHFFFAOYSA-N
MW258.32 g/mol
LogP1.52
Rot. Bonds3

About N-(2-methylpropyl)-3-oxo-4-azatricyclo[5.3.1.04,11]undeca-1(10),7(11),8-triene-9-carboxamide

N-(2-methylpropyl)-3-oxo-4-azatricyclo[5.3.1.04,11]undeca-1(10),7(11),8-triene-9-carboxamide (PubChem CID 110384354) has the molecular formula C15H18N2O2 and a molecular weight of 258.32 g/mol. Its IUPAC name is N-(2-methylpropyl)-3-oxo-4-azatricyclo[5.3.1.04,11]undeca-1(10),7(11),8-triene-9-carboxamide.

Molecular Properties

Compound NameN-(2-methylpropyl)-3-oxo-4-azatricyclo[5.3.1.04,11]undeca-1(10),7(11),8-triene-9-carboxamide
PubChem CID110384354
Molecular FormulaC15H18N2O2
Molecular Weight258.32 g/mol
Exact Mass258.14
IUPAC NameN-(2-methylpropyl)-3-oxo-4-azatricyclo[5.3.1.04,11]undeca-1(10),7(11),8-triene-9-carboxamide
SMILESCC(C)CNC(=O)c1cc2c3c(c1)CC(=O)N3CC2
InChIInChI=1S/C15H18N2O2/c1-9(2)8-16-15(19)12-5-10-3-4-17-13(18)7-11(6-12)14(10)17/h5-6,9H,3-4,7-8H2,1-2H3,(H,16,19)
InChIKeyGNEHJWCVVYOJGA-UHFFFAOYSA-N
XLogP1.52
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-butyl-11-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-triene-6-carboxamide
CID 110383960
11-oxo-N-prop-2-enyl-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-triene-6-carboxamide
CID 110383959
N-(3-acetylphenyl)-3-oxo-4-azatricyclo[5.3.1.04,11]undeca-1(10),7(11),8-triene-9-carboxamide
CID 110384467
N-(2-methylpropyl)-4-(2-oxopiperidin-1-yl)benzamide
CID 18106043
methyl 2-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-triene-6-carboxylate
CID 116993329
N-(2-methylpropyl)-2,3-dihydro-1H-isoindole-5-carboxamide
CID 82171853
N-[4-(4-methylpiperidin-1-yl)phenyl]-3-oxo-4-azatricyclo[5.3.1.04,11]undeca-1(10),7(11),8-triene-9-carboxamide
CID 110384474
N-[(2-methoxyphenyl)methyl]-11-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-triene-6-carboxamide
CID 110383991
N-(4-ethylphenyl)-2-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-triene-6-carboxamide
CID 110384310
N-[2-(2-methoxyphenyl)ethyl]-2-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-triene-6-carboxamide
CID 110384258
3,5-dimethyl-N-(2-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-6-yl)benzamide
CID 7526524
N,N-diethyl-11-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-triene-6-carboxamide
CID 110384026

Frequently Asked Questions

What is the IUPAC name of N-(2-methylpropyl)-3-oxo-4-azatricyclo[5.3.1.04,11]undeca-1(10),7(11),8-triene-9-carboxamide?
The IUPAC name of N-(2-methylpropyl)-3-oxo-4-azatricyclo[5.3.1.04,11]undeca-1(10),7(11),8-triene-9-carboxamide (CID 110384354) is N-(2-methylpropyl)-3-oxo-4-azatricyclo[5.3.1.04,11]undeca-1(10),7(11),8-triene-9-carboxamide.
What is the SMILES notation for N-(2-methylpropyl)-3-oxo-4-azatricyclo[5.3.1.04,11]undeca-1(10),7(11),8-triene-9-carboxamide?
The canonical SMILES for N-(2-methylpropyl)-3-oxo-4-azatricyclo[5.3.1.04,11]undeca-1(10),7(11),8-triene-9-carboxamide is CC(C)CNC(=O)c1cc2c3c(c1)CC(=O)N3CC2.
What is the InChIKey of N-(2-methylpropyl)-3-oxo-4-azatricyclo[5.3.1.04,11]undeca-1(10),7(11),8-triene-9-carboxamide?
The InChIKey is GNEHJWCVVYOJGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O2/c1-9(2)8-16-15(19)12-5-10-3-4-17-13(18)7-11(6-12)14(10)17/h5-6,9H,3-4,7-8H2,1-2H3,(H,16,19).
What are the key properties of N-(2-methylpropyl)-3-oxo-4-azatricyclo[5.3.1.04,11]undeca-1(10),7(11),8-triene-9-carboxamide?
N-(2-methylpropyl)-3-oxo-4-azatricyclo[5.3.1.04,11]undeca-1(10),7(11),8-triene-9-carboxamide has a molecular weight of 258.32 g/mol, XLogP of 1.52, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylpropyl)-3-oxo-4-azatricyclo[5.3.1.04,11]undeca-1(10),7(11),8-triene-9-carboxamide is sourced from PubChem (CID 110384354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).