4-(1-cyclopropylethylamino)-N-ethyl-3-methylbenzamide

C15H22N2O — CID 54864939

IUPAC4-(1-cyclopropylethylamino)-N-ethyl-3-methylbenzamide
SMILESCCNC(=O)c1ccc(NC(C)C2CC2)c(C)c1
InChIInChI=1S/C15H22N2O/c1-4-16-15(18)13-7-8-14(10(2)9-13)17-11(3)12-5-6-12/h7-9,11-12,17H,4-6H2,1-3H3,(H,16,18)
InChIKeyZOHJLRGLKAVGBX-UHFFFAOYSA-N
MW246.35 g/mol
LogP2.96
Rot. Bonds5

About 4-(1-cyclopropylethylamino)-N-ethyl-3-methylbenzamide

4-(1-cyclopropylethylamino)-N-ethyl-3-methylbenzamide (PubChem CID 54864939) has the molecular formula C15H22N2O and a molecular weight of 246.35 g/mol. Its IUPAC name is 4-(1-cyclopropylethylamino)-N-ethyl-3-methylbenzamide.

Molecular Properties

Compound Name4-(1-cyclopropylethylamino)-N-ethyl-3-methylbenzamide
PubChem CID54864939
Molecular FormulaC15H22N2O
Molecular Weight246.35 g/mol
Exact Mass246.17
IUPAC Name4-(1-cyclopropylethylamino)-N-ethyl-3-methylbenzamide
SMILESCCNC(=O)c1ccc(NC(C)C2CC2)c(C)c1
InChIInChI=1S/C15H22N2O/c1-4-16-15(18)13-7-8-14(10(2)9-13)17-11(3)12-5-6-12/h7-9,11-12,17H,4-6H2,1-3H3,(H,16,18)
InChIKeyZOHJLRGLKAVGBX-UHFFFAOYSA-N
XLogP2.96
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.35
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-(1-cyclopropylethylamino)-N-ethyl-3-nitrobenzamide
CID 82990994
N-ethyl-4-(heptan-4-ylamino)-3-methylbenzamide
CID 60935830
3-(1-cyclopropylpropylamino)-N-ethyl-4-methylbenzamide
CID 64918833
methyl 4-(1-cyclopentylethylamino)-3-methylbenzoate
CID 63445570
N-(1-cyclopropylethyl)-3-methyl-4-(methylamino)benzamide
CID 63210093
4-(1-cyclopropylpropylamino)-N,3-dimethylbenzamide
CID 64917782
4-[(2,6-dimethylcyclohexyl)amino]-N-ethyl-3-methylbenzamide
CID 60934848
N-ethyl-3-methyl-4-(2-methylpropylcarbamoylamino)benzamide
CID 47264617
N-ethyl-3-methyl-4-propan-2-ylbenzamide
CID 58969990
N-ethyl-3-methyl-4-(3-piperidin-3-ylbutanoylamino)benzamide
CID 119714185
4-[(2,5-dimethylcyclohexyl)amino]-N-ethyl-3-methylbenzamide
CID 64761485
4-[(3,3-dimethylcyclopentyl)amino]-N-ethyl-3-methylbenzamide
CID 80706223

Frequently Asked Questions

What is the IUPAC name of 4-(1-cyclopropylethylamino)-N-ethyl-3-methylbenzamide?
The IUPAC name of 4-(1-cyclopropylethylamino)-N-ethyl-3-methylbenzamide (CID 54864939) is 4-(1-cyclopropylethylamino)-N-ethyl-3-methylbenzamide.
What is the SMILES notation for 4-(1-cyclopropylethylamino)-N-ethyl-3-methylbenzamide?
The canonical SMILES for 4-(1-cyclopropylethylamino)-N-ethyl-3-methylbenzamide is CCNC(=O)c1ccc(NC(C)C2CC2)c(C)c1.
What is the InChIKey of 4-(1-cyclopropylethylamino)-N-ethyl-3-methylbenzamide?
The InChIKey is ZOHJLRGLKAVGBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O/c1-4-16-15(18)13-7-8-14(10(2)9-13)17-11(3)12-5-6-12/h7-9,11-12,17H,4-6H2,1-3H3,(H,16,18).
What are the key properties of 4-(1-cyclopropylethylamino)-N-ethyl-3-methylbenzamide?
4-(1-cyclopropylethylamino)-N-ethyl-3-methylbenzamide has a molecular weight of 246.35 g/mol, XLogP of 2.96, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-cyclopropylethylamino)-N-ethyl-3-methylbenzamide is sourced from PubChem (CID 54864939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).