N-(4-amino-2-methylphenyl)-2-methylpropanamide

C11H16N2O — CID 960642

IUPACN-(4-amino-2-methylphenyl)-2-methylpropanamide
SMILESCc1cc(N)ccc1NC(=O)C(C)C
InChIInChI=1S/C11H16N2O/c1-7(2)11(14)13-10-5-4-9(12)6-8(10)3/h4-7H,12H2,1-3H3,(H,13,14)
InChIKeyIMKZAFWTXVBTQL-UHFFFAOYSA-N
MW192.26 g/mol
LogP2.17
Rot. Bonds2

About N-(4-amino-2-methylphenyl)-2-methylpropanamide

N-(4-amino-2-methylphenyl)-2-methylpropanamide (PubChem CID 960642) has the molecular formula C11H16N2O and a molecular weight of 192.26 g/mol. Its IUPAC name is N-(4-amino-2-methylphenyl)-2-methylpropanamide.

Molecular Properties

Compound NameN-(4-amino-2-methylphenyl)-2-methylpropanamide
PubChem CID960642
Molecular FormulaC11H16N2O
Molecular Weight192.26 g/mol
Exact Mass192.13
IUPAC NameN-(4-amino-2-methylphenyl)-2-methylpropanamide
SMILESCc1cc(N)ccc1NC(=O)C(C)C
InChIInChI=1S/C11H16N2O/c1-7(2)11(14)13-10-5-4-9(12)6-8(10)3/h4-7H,12H2,1-3H3,(H,13,14)
InChIKeyIMKZAFWTXVBTQL-UHFFFAOYSA-N
XLogP2.17
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.26
LogP ≤ 52.17
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-(4-amino-2-methylphenyl)-2-ethylsulfonylpropanamide
CID 43382336
N-(4-amino-2-methylphenyl)-3-methylbutanamide
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N-(4-amino-2-methylphenyl)-2-(2,6-dimethylphenoxy)propanamide
CID 16786831
N-(4-amino-2-methylphenyl)-2-(dipropylamino)propanamide
CID 16779619
N-(4-amino-2-methylphenyl)-2-(3,4-dihydroxypyrrolidin-1-yl)propanamide
CID 106667934
[5-amino-2-(2-methylpropanoylamino)phenyl] 2-methylpropanoate;hydrochloride
CID 66521928
N-(4-amino-2-methylphenyl)-2-(4-fluorophenoxy)propanamide
CID 16786087
N-(4-amino-2-methylphenyl)propanamide
CID 839309
N-(5-amino-2-methoxyphenyl)-2-methylpropanamide
CID 16772178
N-(4-amino-2-methylphenyl)-2-(2,6-dimethylmorpholin-4-yl)propanamide
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CID 16790293

Frequently Asked Questions

What is the IUPAC name of N-(4-amino-2-methylphenyl)-2-methylpropanamide?
The IUPAC name of N-(4-amino-2-methylphenyl)-2-methylpropanamide (CID 960642) is N-(4-amino-2-methylphenyl)-2-methylpropanamide.
What is the SMILES notation for N-(4-amino-2-methylphenyl)-2-methylpropanamide?
The canonical SMILES for N-(4-amino-2-methylphenyl)-2-methylpropanamide is Cc1cc(N)ccc1NC(=O)C(C)C.
What is the InChIKey of N-(4-amino-2-methylphenyl)-2-methylpropanamide?
The InChIKey is IMKZAFWTXVBTQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O/c1-7(2)11(14)13-10-5-4-9(12)6-8(10)3/h4-7H,12H2,1-3H3,(H,13,14).
What are the key properties of N-(4-amino-2-methylphenyl)-2-methylpropanamide?
N-(4-amino-2-methylphenyl)-2-methylpropanamide has a molecular weight of 192.26 g/mol, XLogP of 2.17, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-amino-2-methylphenyl)-2-methylpropanamide is sourced from PubChem (CID 960642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).