2-amino-3-methyl-N-propan-2-ylbenzamide

C11H16N2O — CID 16776093

IUPAC2-amino-3-methyl-N-propan-2-ylbenzamide
SMILESCc1cccc(C(=O)NC(C)C)c1N
InChIInChI=1S/C11H16N2O/c1-7(2)13-11(14)9-6-4-5-8(3)10(9)12/h4-7H,12H2,1-3H3,(H,13,14)
InChIKeyJHGAGJCUHXJCPF-UHFFFAOYSA-N
MW192.26 g/mol
LogP1.72
Rot. Bonds2

About 2-amino-3-methyl-N-propan-2-ylbenzamide

2-amino-3-methyl-N-propan-2-ylbenzamide (PubChem CID 16776093) has the molecular formula C11H16N2O and a molecular weight of 192.26 g/mol. Its IUPAC name is 2-amino-3-methyl-N-propan-2-ylbenzamide.

Molecular Properties

Compound Name2-amino-3-methyl-N-propan-2-ylbenzamide
PubChem CID16776093
Molecular FormulaC11H16N2O
Molecular Weight192.26 g/mol
Exact Mass192.13
IUPAC Name2-amino-3-methyl-N-propan-2-ylbenzamide
SMILESCc1cccc(C(=O)NC(C)C)c1N
InChIInChI=1S/C11H16N2O/c1-7(2)13-11(14)9-6-4-5-8(3)10(9)12/h4-7H,12H2,1-3H3,(H,13,14)
InChIKeyJHGAGJCUHXJCPF-UHFFFAOYSA-N
XLogP1.72
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 ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-amino-3-methyl-N-propan-2-ylbenzamide?
The IUPAC name of 2-amino-3-methyl-N-propan-2-ylbenzamide (CID 16776093) is 2-amino-3-methyl-N-propan-2-ylbenzamide.
What is the SMILES notation for 2-amino-3-methyl-N-propan-2-ylbenzamide?
The canonical SMILES for 2-amino-3-methyl-N-propan-2-ylbenzamide is Cc1cccc(C(=O)NC(C)C)c1N.
What is the InChIKey of 2-amino-3-methyl-N-propan-2-ylbenzamide?
The InChIKey is JHGAGJCUHXJCPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O/c1-7(2)13-11(14)9-6-4-5-8(3)10(9)12/h4-7H,12H2,1-3H3,(H,13,14).
What are the key properties of 2-amino-3-methyl-N-propan-2-ylbenzamide?
2-amino-3-methyl-N-propan-2-ylbenzamide has a molecular weight of 192.26 g/mol, XLogP of 1.72, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-methyl-N-propan-2-ylbenzamide is sourced from PubChem (CID 16776093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).