2-amino-N-(1-cyclopropylpropan-2-yl)-5-methylbenzamide

C14H20N2O — CID 63993821

IUPAC2-amino-N-(1-cyclopropylpropan-2-yl)-5-methylbenzamide
SMILESCc1ccc(N)c(C(=O)NC(C)CC2CC2)c1
InChIInChI=1S/C14H20N2O/c1-9-3-6-13(15)12(7-9)14(17)16-10(2)8-11-4-5-11/h3,6-7,10-11H,4-5,8,15H2,1-2H3,(H,16,17)
InChIKeyWWAIJQUCMCFYHI-UHFFFAOYSA-N
MW232.33 g/mol
LogP2.50
Rot. Bonds4

About 2-amino-N-(1-cyclopropylpropan-2-yl)-5-methylbenzamide

2-amino-N-(1-cyclopropylpropan-2-yl)-5-methylbenzamide (PubChem CID 63993821) has the molecular formula C14H20N2O and a molecular weight of 232.33 g/mol. Its IUPAC name is 2-amino-N-(1-cyclopropylpropan-2-yl)-5-methylbenzamide.

Molecular Properties

Compound Name2-amino-N-(1-cyclopropylpropan-2-yl)-5-methylbenzamide
PubChem CID63993821
Molecular FormulaC14H20N2O
Molecular Weight232.33 g/mol
Exact Mass232.16
IUPAC Name2-amino-N-(1-cyclopropylpropan-2-yl)-5-methylbenzamide
SMILESCc1ccc(N)c(C(=O)NC(C)CC2CC2)c1
InChIInChI=1S/C14H20N2O/c1-9-3-6-13(15)12(7-9)14(17)16-10(2)8-11-4-5-11/h3,6-7,10-11H,4-5,8,15H2,1-2H3,(H,16,17)
InChIKeyWWAIJQUCMCFYHI-UHFFFAOYSA-N
XLogP2.50
TPSA55.12 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 ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(1-cyclopropylpropan-2-yl)-2-fluoro-4-methylbenzamide
CID 79796022
2-amino-N-(4-hydroxypentan-2-yl)-5-methylbenzamide
CID 113375955
N-(1-cyclopropylpropan-2-yl)-4-hydroxy-2-methylbenzamide
CID 113341412
2-amino-5-methyl-N-[1-(2-methylphenyl)propan-2-yl]benzamide
CID 62060793
5-bromo-N-(1-cyclopropylpropan-2-yl)-2-hydroxybenzamide
CID 113235026
1-(2-amino-5-methylphenyl)-2-cyclopropylethanone
CID 116581446
2-amino-5-methyl-N-(oxan-4-ylmethyl)benzamide
CID 63707297
2-amino-5-methyl-N-(1-thiophen-3-ylpropan-2-yl)benzamide
CID 62509065
N-(1-cyclopropylpropan-2-yl)-2-methyl-5-sulfamoylbenzamide
CID 63994388
5-bromo-N-(1-cyclopropylpropan-2-yl)-2-methyl-3-sulfamoylbenzamide
CID 65388884
2-amino-5-methyl-N-(2-methylpropyl)benzamide
CID 62074325
2-amino-N-[(2S)-1-hydroxybutan-2-yl]-5-methylbenzamide
CID 107211525

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(1-cyclopropylpropan-2-yl)-5-methylbenzamide?
The IUPAC name of 2-amino-N-(1-cyclopropylpropan-2-yl)-5-methylbenzamide (CID 63993821) is 2-amino-N-(1-cyclopropylpropan-2-yl)-5-methylbenzamide.
What is the SMILES notation for 2-amino-N-(1-cyclopropylpropan-2-yl)-5-methylbenzamide?
The canonical SMILES for 2-amino-N-(1-cyclopropylpropan-2-yl)-5-methylbenzamide is Cc1ccc(N)c(C(=O)NC(C)CC2CC2)c1.
What is the InChIKey of 2-amino-N-(1-cyclopropylpropan-2-yl)-5-methylbenzamide?
The InChIKey is WWAIJQUCMCFYHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O/c1-9-3-6-13(15)12(7-9)14(17)16-10(2)8-11-4-5-11/h3,6-7,10-11H,4-5,8,15H2,1-2H3,(H,16,17).
What are the key properties of 2-amino-N-(1-cyclopropylpropan-2-yl)-5-methylbenzamide?
2-amino-N-(1-cyclopropylpropan-2-yl)-5-methylbenzamide has a molecular weight of 232.33 g/mol, XLogP of 2.50, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(1-cyclopropylpropan-2-yl)-5-methylbenzamide is sourced from PubChem (CID 63993821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).