5-amino-2-methyl-N-(3-methylbut-2-enyl)benzamide

C13H18N2O — CID 106179725

IUPAC5-amino-2-methyl-N-(3-methylbut-2-enyl)benzamide
SMILESCC(C)=CCNC(=O)c1cc(N)ccc1C
InChIInChI=1S/C13H18N2O/c1-9(2)6-7-15-13(16)12-8-11(14)5-4-10(12)3/h4-6,8H,7,14H2,1-3H3,(H,15,16)
InChIKeyMFWRWZGOUONZTR-UHFFFAOYSA-N
MW218.30 g/mol
LogP2.27
Rot. Bonds3

About 5-amino-2-methyl-N-(3-methylbut-2-enyl)benzamide

5-amino-2-methyl-N-(3-methylbut-2-enyl)benzamide (PubChem CID 106179725) has the molecular formula C13H18N2O and a molecular weight of 218.30 g/mol. Its IUPAC name is 5-amino-2-methyl-N-(3-methylbut-2-enyl)benzamide.

Molecular Properties

Compound Name5-amino-2-methyl-N-(3-methylbut-2-enyl)benzamide
PubChem CID106179725
Molecular FormulaC13H18N2O
Molecular Weight218.30 g/mol
Exact Mass218.14
IUPAC Name5-amino-2-methyl-N-(3-methylbut-2-enyl)benzamide
SMILESCC(C)=CCNC(=O)c1cc(N)ccc1C
InChIInChI=1S/C13H18N2O/c1-9(2)6-7-15-13(16)12-8-11(14)5-4-10(12)3/h4-6,8H,7,14H2,1-3H3,(H,15,16)
InChIKeyMFWRWZGOUONZTR-UHFFFAOYSA-N
XLogP2.27
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 5-amino-2-methyl-N-(3-methylbut-2-enyl)benzamide 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

5-amino-N-(3-amino-3-oxopropyl)-2-methylbenzamide
CID 91141603
5-amino-N-[[1-(hydroxymethyl)cyclopentyl]methyl]-2-methylbenzamide
CID 115357784
methyl 2-[(5-amino-2-methylbenzoyl)amino]acetate
CID 61291717
5-amino-N-(2,2-dimethylbutyl)-2-methylbenzamide
CID 103459942
5-amino-N-(2-ethoxyethyl)-2-methylbenzamide;hydrochloride
CID 120620370
5-amino-N-(3-ethyl-2-hydroxypentyl)-2-methylbenzamide;hydrochloride
CID 120632540
5-amino-N-carbamoyl-2-methylbenzamide
CID 130015000
5-amino-2-methyl-N-(5-phenylpentyl)benzamide;hydrochloride
CID 120630670
5-amino-N-[2-(2-amino-2-oxoethoxy)ethyl]-2-methylbenzamide
CID 106233435
methyl 3-[(5-amino-2-methylbenzoyl)amino]-2,2-dimethylpropanoate
CID 120633675
5-amino-N-(2-hydroxy-3-methylpentyl)-2-methylbenzamide
CID 120632622
5-amino-N-(cyclobutylmethyl)-2-methylbenzamide;hydrochloride
CID 120622474

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-methyl-N-(3-methylbut-2-enyl)benzamide?
The IUPAC name of 5-amino-2-methyl-N-(3-methylbut-2-enyl)benzamide (CID 106179725) is 5-amino-2-methyl-N-(3-methylbut-2-enyl)benzamide.
What is the SMILES notation for 5-amino-2-methyl-N-(3-methylbut-2-enyl)benzamide?
The canonical SMILES for 5-amino-2-methyl-N-(3-methylbut-2-enyl)benzamide is CC(C)=CCNC(=O)c1cc(N)ccc1C.
What is the InChIKey of 5-amino-2-methyl-N-(3-methylbut-2-enyl)benzamide?
The InChIKey is MFWRWZGOUONZTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O/c1-9(2)6-7-15-13(16)12-8-11(14)5-4-10(12)3/h4-6,8H,7,14H2,1-3H3,(H,15,16).
What are the key properties of 5-amino-2-methyl-N-(3-methylbut-2-enyl)benzamide?
5-amino-2-methyl-N-(3-methylbut-2-enyl)benzamide has a molecular weight of 218.30 g/mol, XLogP of 2.27, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-methyl-N-(3-methylbut-2-enyl)benzamide is sourced from PubChem (CID 106179725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).