N-cycloheptyl-2-oxo-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-triene-7-carboxamide

C20H26N2O2 — CID 110384162

IUPACN-cycloheptyl-2-oxo-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-triene-7-carboxamide
SMILESO=C(NC1CCCCCC1)c1cc2c3c(c1)CCC(=O)N3CCC2
InChIInChI=1S/C20H26N2O2/c23-18-10-9-15-13-16(12-14-6-5-11-22(18)19(14)15)20(24)21-17-7-3-1-2-4-8-17/h12-13,17H,1-11H2,(H,21,24)
InChIKeyOWJRJNDRLAYRSH-UHFFFAOYSA-N
MW326.44 g/mol
LogP3.36
Rot. Bonds2

About N-cycloheptyl-2-oxo-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-triene-7-carboxamide

N-cycloheptyl-2-oxo-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-triene-7-carboxamide (PubChem CID 110384162) has the molecular formula C20H26N2O2 and a molecular weight of 326.44 g/mol. Its IUPAC name is N-cycloheptyl-2-oxo-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-triene-7-carboxamide.

Molecular Properties

Compound NameN-cycloheptyl-2-oxo-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-triene-7-carboxamide
PubChem CID110384162
Molecular FormulaC20H26N2O2
Molecular Weight326.44 g/mol
Exact Mass326.20
IUPAC NameN-cycloheptyl-2-oxo-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-triene-7-carboxamide
SMILESO=C(NC1CCCCCC1)c1cc2c3c(c1)CCC(=O)N3CCC2
InChIInChI=1S/C20H26N2O2/c23-18-10-9-15-13-16(12-14-6-5-11-22(18)19(14)15)20(24)21-17-7-3-1-2-4-8-17/h12-13,17H,1-11H2,(H,21,24)
InChIKeyOWJRJNDRLAYRSH-UHFFFAOYSA-N
XLogP3.36
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.44
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-cyclopentyl-2-oxo-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-triene-7-carboxamide
CID 110384100
N-cyclooctyl-3-(2-oxopyrrolidin-1-yl)benzamide
CID 4229482
3,5-diamino-N-cyclooctylbenzamide
CID 61092511
N-cyclopropyl-4-(2-oxopiperidin-1-yl)benzamide
CID 18105948
7-(morpholine-4-carbonyl)-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-2-one
CID 110384107
N-butyl-11-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-triene-6-carboxamide
CID 110383960
2-chloro-N-cyclohexyl-5-[[4-(2-oxopyrrolidin-1-yl)benzoyl]amino]benzamide
CID 60540482
N-(1-methylpiperidin-4-yl)-5,6,7,8-tetrahydronaphthalene-2-carboxamide
CID 47116639
7-(4-ethylpiperazine-1-carbonyl)-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-2-one
CID 110384113
N-(4-acetamidophenyl)-N'-(2-oxo-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-7-yl)oxamide
CID 16823321
N-cycloheptyl-1-methyl-2-oxo-3H-indole-5-carboxamide
CID 52986175
4-amino-N-cyclohexylbenzamide;hydrochloride
CID 83814043

Frequently Asked Questions

What is the IUPAC name of N-cycloheptyl-2-oxo-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-triene-7-carboxamide?
The IUPAC name of N-cycloheptyl-2-oxo-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-triene-7-carboxamide (CID 110384162) is N-cycloheptyl-2-oxo-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-triene-7-carboxamide.
What is the SMILES notation for N-cycloheptyl-2-oxo-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-triene-7-carboxamide?
The canonical SMILES for N-cycloheptyl-2-oxo-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-triene-7-carboxamide is O=C(NC1CCCCCC1)c1cc2c3c(c1)CCC(=O)N3CCC2.
What is the InChIKey of N-cycloheptyl-2-oxo-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-triene-7-carboxamide?
The InChIKey is OWJRJNDRLAYRSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O2/c23-18-10-9-15-13-16(12-14-6-5-11-22(18)19(14)15)20(24)21-17-7-3-1-2-4-8-17/h12-13,17H,1-11H2,(H,21,24).
What are the key properties of N-cycloheptyl-2-oxo-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-triene-7-carboxamide?
N-cycloheptyl-2-oxo-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-triene-7-carboxamide has a molecular weight of 326.44 g/mol, XLogP of 3.36, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cycloheptyl-2-oxo-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-triene-7-carboxamide is sourced from PubChem (CID 110384162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).