3-(1-cyclopropylethylamino)-N,2-dimethylbenzamide

C14H20N2O — CID 43734592

IUPAC3-(1-cyclopropylethylamino)-N,2-dimethylbenzamide
SMILESCNC(=O)c1cccc(NC(C)C2CC2)c1C
InChIInChI=1S/C14H20N2O/c1-9-12(14(17)15-3)5-4-6-13(9)16-10(2)11-7-8-11/h4-6,10-11,16H,7-8H2,1-3H3,(H,15,17)
InChIKeyWUKHTMUKXHCODI-UHFFFAOYSA-N
MW232.33 g/mol
LogP2.57
Rot. Bonds4

About 3-(1-cyclopropylethylamino)-N,2-dimethylbenzamide

3-(1-cyclopropylethylamino)-N,2-dimethylbenzamide (PubChem CID 43734592) has the molecular formula C14H20N2O and a molecular weight of 232.33 g/mol. Its IUPAC name is 3-(1-cyclopropylethylamino)-N,2-dimethylbenzamide.

Molecular Properties

Compound Name3-(1-cyclopropylethylamino)-N,2-dimethylbenzamide
PubChem CID43734592
Molecular FormulaC14H20N2O
Molecular Weight232.33 g/mol
Exact Mass232.16
IUPAC Name3-(1-cyclopropylethylamino)-N,2-dimethylbenzamide
SMILESCNC(=O)c1cccc(NC(C)C2CC2)c1C
InChIInChI=1S/C14H20N2O/c1-9-12(14(17)15-3)5-4-6-13(9)16-10(2)11-7-8-11/h4-6,10-11,16H,7-8H2,1-3H3,(H,15,17)
InChIKeyWUKHTMUKXHCODI-UHFFFAOYSA-N
XLogP2.57
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.33
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N,2-dimethyl-3-[1-(1-methylpiperidin-4-yl)ethylamino]benzamide
CID 43734494
3-(1-cyclopropylpropylamino)-N,2-dimethylbenzamide
CID 64918620
3-(1-cyclobutylpropan-2-ylamino)-N,2-dimethylbenzamide
CID 115916570
2-methyl-3-[1-(1-methylpiperidin-4-yl)ethylamino]benzamide
CID 43694021
N-(1-cyclopropylethyl)-2,3-dimethylaniline
CID 43196438
3-chloro-N-(1-cyclopropylethyl)-2-methylaniline
CID 43192017
N,2-dimethyl-3-[1-(5-methylfuran-2-yl)ethylamino]benzamide
CID 43734599
3-[(4-aminocyclohexanecarbonyl)amino]-N,2-dimethylbenzamide
CID 60851927
3-[[(2R)-2-aminopropanoyl]amino]-N,2-dimethylbenzamide
CID 54996136
N,2-dimethyl-3-[(1-methylpiperidin-4-yl)amino]benzamide
CID 43734523
N,2-dimethyl-3-(nonan-2-ylamino)benzamide
CID 43734562
N-(2-amino-1-cyclopropylethyl)-2-methyl-3-(3-methylbutan-2-ylamino)benzamide
CID 119615851

Frequently Asked Questions

What is the IUPAC name of 3-(1-cyclopropylethylamino)-N,2-dimethylbenzamide?
The IUPAC name of 3-(1-cyclopropylethylamino)-N,2-dimethylbenzamide (CID 43734592) is 3-(1-cyclopropylethylamino)-N,2-dimethylbenzamide.
What is the SMILES notation for 3-(1-cyclopropylethylamino)-N,2-dimethylbenzamide?
The canonical SMILES for 3-(1-cyclopropylethylamino)-N,2-dimethylbenzamide is CNC(=O)c1cccc(NC(C)C2CC2)c1C.
What is the InChIKey of 3-(1-cyclopropylethylamino)-N,2-dimethylbenzamide?
The InChIKey is WUKHTMUKXHCODI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O/c1-9-12(14(17)15-3)5-4-6-13(9)16-10(2)11-7-8-11/h4-6,10-11,16H,7-8H2,1-3H3,(H,15,17).
What are the key properties of 3-(1-cyclopropylethylamino)-N,2-dimethylbenzamide?
3-(1-cyclopropylethylamino)-N,2-dimethylbenzamide has a molecular weight of 232.33 g/mol, XLogP of 2.57, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-cyclopropylethylamino)-N,2-dimethylbenzamide is sourced from PubChem (CID 43734592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).