(1S,6S)-N-[2-(2,3-dimethylanilino)-2-oxoethyl]-N-methylbicyclo[4.1.0]heptane-7-carboxamide

C19H26N2O2 — CID 98205725

IUPAC(1S,6S)-N-[2-(2,3-dimethylanilino)-2-oxoethyl]-N-methylbicyclo[4.1.0]heptane-7-carboxamide
SMILESCc1cccc(NC(=O)CN(C)C(=O)C2[C@H]3CCCC[C@H]23)c1C
InChIInChI=1S/C19H26N2O2/c1-12-7-6-10-16(13(12)2)20-17(22)11-21(3)19(23)18-14-8-4-5-9-15(14)18/h6-7,10,14-15,18H,4-5,8-9,11H2,1-3H3,(H,20,22)/t14-,15-/m0/s1
InChIKeyDGVBVADLYPLAGZ-GJZGRUSLSA-N
MW314.43 g/mol
LogP3.14
Rot. Bonds4

About (1S,6S)-N-[2-(2,3-dimethylanilino)-2-oxoethyl]-N-methylbicyclo[4.1.0]heptane-7-carboxamide

(1S,6S)-N-[2-(2,3-dimethylanilino)-2-oxoethyl]-N-methylbicyclo[4.1.0]heptane-7-carboxamide (PubChem CID 98205725) has the molecular formula C19H26N2O2 and a molecular weight of 314.43 g/mol. Its IUPAC name is (1S,6S)-N-[2-(2,3-dimethylanilino)-2-oxoethyl]-N-methylbicyclo[4.1.0]heptane-7-carboxamide.

Molecular Properties

Compound Name(1S,6S)-N-[2-(2,3-dimethylanilino)-2-oxoethyl]-N-methylbicyclo[4.1.0]heptane-7-carboxamide
PubChem CID98205725
Molecular FormulaC19H26N2O2
Molecular Weight314.43 g/mol
Exact Mass314.20
IUPAC Name(1S,6S)-N-[2-(2,3-dimethylanilino)-2-oxoethyl]-N-methylbicyclo[4.1.0]heptane-7-carboxamide
SMILESCc1cccc(NC(=O)CN(C)C(=O)C2[C@H]3CCCC[C@H]23)c1C
InChIInChI=1S/C19H26N2O2/c1-12-7-6-10-16(13(12)2)20-17(22)11-21(3)19(23)18-14-8-4-5-9-15(14)18/h6-7,10,14-15,18H,4-5,8-9,11H2,1-3H3,(H,20,22)/t14-,15-/m0/s1
InChIKeyDGVBVADLYPLAGZ-GJZGRUSLSA-N
XLogP3.14
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.43
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (1S,6S)-N-[2-(2,3-dimethylanilino)-2-oxoethyl]-N-methylbicyclo[4.1.0]heptane-7-carboxamide with MolForge

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Related Compounds

3-amino-N-[2-(2,3-dimethylanilino)-2-oxoethyl]-N-methylcyclohexane-1-carboxamide;hydrochloride
CID 119684097
N-(2,3-dimethylphenyl)-2-[(2-hydroxycyclohexyl)-methylamino]acetamide
CID 110883640
N-cycloheptyl-2-[[2-(2,3-dimethylanilino)-2-oxoethyl]-methylamino]acetamide
CID 38510500
2-[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]-N-[2-(2,3-dimethylanilino)-2-oxoethyl]-N-methylacetamide
CID 11945709
2-[cyclopentyl(2-hydroxyethyl)amino]-N-(2,3-dimethylphenyl)acetamide
CID 60911691
2-[cyclopentyl(methylsulfonyl)amino]-N-(2,3-dimethylphenyl)acetamide
CID 113148924
N-[2-(2,3-dimethylanilino)-2-oxoethyl]-N-methylbutanamide
CID 27807926
2-[cyclopentyl(methyl)amino]-N-[(2,3-dimethylphenyl)carbamoyl]acetamide
CID 51282081
2-(cycloheptylamino)-N-(2,3-dimethylphenyl)acetamide
CID 109005556
2-amino-N-[2-(2,3-dimethylanilino)-2-oxoethyl]-N-methylpropanamide;hydrochloride
CID 119268362
N-[2-(2,3-dimethylanilino)-2-oxoethyl]-N,3-dimethylbenzamide
CID 8503637
4-chloro-N-[2-(2,3-dimethylanilino)-2-oxoethyl]-N-methylbenzamide
CID 8503588

Frequently Asked Questions

What is the IUPAC name of (1S,6S)-N-[2-(2,3-dimethylanilino)-2-oxoethyl]-N-methylbicyclo[4.1.0]heptane-7-carboxamide?
The IUPAC name of (1S,6S)-N-[2-(2,3-dimethylanilino)-2-oxoethyl]-N-methylbicyclo[4.1.0]heptane-7-carboxamide (CID 98205725) is (1S,6S)-N-[2-(2,3-dimethylanilino)-2-oxoethyl]-N-methylbicyclo[4.1.0]heptane-7-carboxamide.
What is the SMILES notation for (1S,6S)-N-[2-(2,3-dimethylanilino)-2-oxoethyl]-N-methylbicyclo[4.1.0]heptane-7-carboxamide?
The canonical SMILES for (1S,6S)-N-[2-(2,3-dimethylanilino)-2-oxoethyl]-N-methylbicyclo[4.1.0]heptane-7-carboxamide is Cc1cccc(NC(=O)CN(C)C(=O)C2[C@H]3CCCC[C@H]23)c1C.
What is the InChIKey of (1S,6S)-N-[2-(2,3-dimethylanilino)-2-oxoethyl]-N-methylbicyclo[4.1.0]heptane-7-carboxamide?
The InChIKey is DGVBVADLYPLAGZ-GJZGRUSLSA-N. The full InChI is InChI=1S/C19H26N2O2/c1-12-7-6-10-16(13(12)2)20-17(22)11-21(3)19(23)18-14-8-4-5-9-15(14)18/h6-7,10,14-15,18H,4-5,8-9,11H2,1-3H3,(H,20,22)/t14-,15-/m0/s1.
What are the key properties of (1S,6S)-N-[2-(2,3-dimethylanilino)-2-oxoethyl]-N-methylbicyclo[4.1.0]heptane-7-carboxamide?
(1S,6S)-N-[2-(2,3-dimethylanilino)-2-oxoethyl]-N-methylbicyclo[4.1.0]heptane-7-carboxamide has a molecular weight of 314.43 g/mol, XLogP of 3.14, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,6S)-N-[2-(2,3-dimethylanilino)-2-oxoethyl]-N-methylbicyclo[4.1.0]heptane-7-carboxamide is sourced from PubChem (CID 98205725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).