N-cycloheptyl-2-[[2-(2,3-dimethylanilino)-2-oxoethyl]-methylamino]acetamide

C20H31N3O2 — CID 38510500

IUPACN-cycloheptyl-2-[[2-(2,3-dimethylanilino)-2-oxoethyl]-methylamino]acetamide
SMILESCc1cccc(NC(=O)CN(C)CC(=O)NC2CCCCCC2)c1C
InChIInChI=1S/C20H31N3O2/c1-15-9-8-12-18(16(15)2)22-20(25)14-23(3)13-19(24)21-17-10-6-4-5-7-11-17/h8-9,12,17H,4-7,10-11,13-14H2,1-3H3,(H,21,24)(H,22,25)
InChIKeyCUPPIGGLEBKOHB-UHFFFAOYSA-N
MW345.49 g/mol
LogP3.01
Rot. Bonds6

About N-cycloheptyl-2-[[2-(2,3-dimethylanilino)-2-oxoethyl]-methylamino]acetamide

N-cycloheptyl-2-[[2-(2,3-dimethylanilino)-2-oxoethyl]-methylamino]acetamide (PubChem CID 38510500) has the molecular formula C20H31N3O2 and a molecular weight of 345.49 g/mol. Its IUPAC name is N-cycloheptyl-2-[[2-(2,3-dimethylanilino)-2-oxoethyl]-methylamino]acetamide.

Molecular Properties

Compound NameN-cycloheptyl-2-[[2-(2,3-dimethylanilino)-2-oxoethyl]-methylamino]acetamide
PubChem CID38510500
Molecular FormulaC20H31N3O2
Molecular Weight345.49 g/mol
Exact Mass345.24
IUPAC NameN-cycloheptyl-2-[[2-(2,3-dimethylanilino)-2-oxoethyl]-methylamino]acetamide
SMILESCc1cccc(NC(=O)CN(C)CC(=O)NC2CCCCCC2)c1C
InChIInChI=1S/C20H31N3O2/c1-15-9-8-12-18(16(15)2)22-20(25)14-23(3)13-19(24)21-17-10-6-4-5-7-11-17/h8-9,12,17H,4-7,10-11,13-14H2,1-3H3,(H,21,24)(H,22,25)
InChIKeyCUPPIGGLEBKOHB-UHFFFAOYSA-N
XLogP3.01
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.49
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-cycloheptyl-2-[[2-(2,3-dimethylanilino)-2-oxoethyl]-methylamino]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-cyclohexyl-2-[[2-(2,3-dimethylanilino)-2-oxoethyl]-(2-methoxyethyl)amino]acetamide
CID 17412870
N-cyclohexyl-2-[[2-(2-ethylanilino)-2-oxoethyl]-methylamino]acetamide
CID 17485054
2-(cyclohexylcarbamoylamino)-N-(2,3-dimethylphenyl)acetamide
CID 51179268
2-(cycloheptylamino)-N-(2,3-dimethylphenyl)acetamide
CID 109005556
N-cyclopentyl-2-[4-[2-(2,3-dimethylanilino)-2-oxoethyl]piperazine-1,4-diium-1-yl]acetamide
CID 9118004
N-cyclopentyl-2-[[2-[[2-(cyclopropylamino)-2-oxoethyl]-methylamino]acetyl]amino]benzamide
CID 9053688
N-(2,3-dimethylphenyl)-2-[(2-hydroxycyclohexyl)-methylamino]acetamide
CID 110883640
2-[[2-[(4aR,8aS)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-2-oxoethyl]-methylamino]-N-(2,3-dimethylphenyl)acetamide
CID 11929445
3-(cyclohexylamino)-N-(2,3-dimethylphenyl)propanamide
CID 109014195
(1S,6S)-N-[2-(2,3-dimethylanilino)-2-oxoethyl]-N-methylbicyclo[4.1.0]heptane-7-carboxamide
CID 98205725
N-cyclopentyl-2-[methyl-[2-(4-methylanilino)-2-oxoethyl]amino]acetamide
CID 27171227
N-cyclohexyl-N'-(2-methylphenyl)propanediamide
CID 108942579

Frequently Asked Questions

What is the IUPAC name of N-cycloheptyl-2-[[2-(2,3-dimethylanilino)-2-oxoethyl]-methylamino]acetamide?
The IUPAC name of N-cycloheptyl-2-[[2-(2,3-dimethylanilino)-2-oxoethyl]-methylamino]acetamide (CID 38510500) is N-cycloheptyl-2-[[2-(2,3-dimethylanilino)-2-oxoethyl]-methylamino]acetamide.
What is the SMILES notation for N-cycloheptyl-2-[[2-(2,3-dimethylanilino)-2-oxoethyl]-methylamino]acetamide?
The canonical SMILES for N-cycloheptyl-2-[[2-(2,3-dimethylanilino)-2-oxoethyl]-methylamino]acetamide is Cc1cccc(NC(=O)CN(C)CC(=O)NC2CCCCCC2)c1C.
What is the InChIKey of N-cycloheptyl-2-[[2-(2,3-dimethylanilino)-2-oxoethyl]-methylamino]acetamide?
The InChIKey is CUPPIGGLEBKOHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31N3O2/c1-15-9-8-12-18(16(15)2)22-20(25)14-23(3)13-19(24)21-17-10-6-4-5-7-11-17/h8-9,12,17H,4-7,10-11,13-14H2,1-3H3,(H,21,24)(H,22,25).
What are the key properties of N-cycloheptyl-2-[[2-(2,3-dimethylanilino)-2-oxoethyl]-methylamino]acetamide?
N-cycloheptyl-2-[[2-(2,3-dimethylanilino)-2-oxoethyl]-methylamino]acetamide has a molecular weight of 345.49 g/mol, XLogP of 3.01, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cycloheptyl-2-[[2-(2,3-dimethylanilino)-2-oxoethyl]-methylamino]acetamide is sourced from PubChem (CID 38510500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).