3-amino-4-(2-cyclopropylethylamino)-N-methylbenzamide

C13H19N3O — CID 83000366

IUPAC3-amino-4-(2-cyclopropylethylamino)-N-methylbenzamide
SMILESCNC(=O)c1ccc(NCCC2CC2)c(N)c1
InChIInChI=1S/C13H19N3O/c1-15-13(17)10-4-5-12(11(14)8-10)16-7-6-9-2-3-9/h4-5,8-9,16H,2-3,6-7,14H2,1H3,(H,15,17)
InChIKeyOAIMDWCKICDSSL-UHFFFAOYSA-N
MW233.31 g/mol
LogP1.84
Rot. Bonds5

About 3-amino-4-(2-cyclopropylethylamino)-N-methylbenzamide

3-amino-4-(2-cyclopropylethylamino)-N-methylbenzamide (PubChem CID 83000366) has the molecular formula C13H19N3O and a molecular weight of 233.31 g/mol. Its IUPAC name is 3-amino-4-(2-cyclopropylethylamino)-N-methylbenzamide.

Molecular Properties

Compound Name3-amino-4-(2-cyclopropylethylamino)-N-methylbenzamide
PubChem CID83000366
Molecular FormulaC13H19N3O
Molecular Weight233.31 g/mol
Exact Mass233.15
IUPAC Name3-amino-4-(2-cyclopropylethylamino)-N-methylbenzamide
SMILESCNC(=O)c1ccc(NCCC2CC2)c(N)c1
InChIInChI=1S/C13H19N3O/c1-15-13(17)10-4-5-12(11(14)8-10)16-7-6-9-2-3-9/h4-5,8-9,16H,2-3,6-7,14H2,1H3,(H,15,17)
InChIKeyOAIMDWCKICDSSL-UHFFFAOYSA-N
XLogP1.84
TPSA67.15 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 51.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

3-amino-4-(2-cyclohexylethylamino)benzoic acid
CID 54887730
3-amino-N-methyl-4-(2-pyrrolidin-1-ylethylamino)benzamide
CID 82988789
3-amino-4-[2-(2-hydroxyethoxy)ethylamino]-N-methylbenzamide
CID 82989279
3-amino-N-methyl-4-[2-(4-methylpiperazin-1-yl)ethylamino]benzamide
CID 82991446
3-amino-4-[(3-hydroxy-2,2-dimethylpropyl)amino]-N-methylbenzamide
CID 82999428
3-amino-4-[2-[4-carbamoyl-2-(methylamino)anilino]ethylamino]-N-methylbenzamide
CID 156790437
3-amino-N-methyl-4-[(2-methylcyclopentyl)methylamino]benzamide
CID 107416557
3-amino-4-[2-(2-amino-2-oxoethoxy)ethylamino]-N-methylbenzamide
CID 106234375
4-amino-N-methyl-3-[2-(oxolan-2-yl)ethylamino]benzamide
CID 63357269
3-amino-4-[(1,3-dihydroxy-2-methylpropan-2-yl)amino]-N-methylbenzamide
CID 82999869
4-amino-3-(cyclobutylmethylamino)-N-methylbenzamide
CID 63357593
4-amino-3-(2-cyclopentylethylamino)-N-ethylbenzamide
CID 63360616

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-(2-cyclopropylethylamino)-N-methylbenzamide?
The IUPAC name of 3-amino-4-(2-cyclopropylethylamino)-N-methylbenzamide (CID 83000366) is 3-amino-4-(2-cyclopropylethylamino)-N-methylbenzamide.
What is the SMILES notation for 3-amino-4-(2-cyclopropylethylamino)-N-methylbenzamide?
The canonical SMILES for 3-amino-4-(2-cyclopropylethylamino)-N-methylbenzamide is CNC(=O)c1ccc(NCCC2CC2)c(N)c1.
What is the InChIKey of 3-amino-4-(2-cyclopropylethylamino)-N-methylbenzamide?
The InChIKey is OAIMDWCKICDSSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O/c1-15-13(17)10-4-5-12(11(14)8-10)16-7-6-9-2-3-9/h4-5,8-9,16H,2-3,6-7,14H2,1H3,(H,15,17).
What are the key properties of 3-amino-4-(2-cyclopropylethylamino)-N-methylbenzamide?
3-amino-4-(2-cyclopropylethylamino)-N-methylbenzamide has a molecular weight of 233.31 g/mol, XLogP of 1.84, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-(2-cyclopropylethylamino)-N-methylbenzamide is sourced from PubChem (CID 83000366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).