3-amino-N-methyl-N-[(2-methylcyclopropyl)methyl]benzamide

C13H18N2O — CID 63879392

IUPAC3-amino-N-methyl-N-[(2-methylcyclopropyl)methyl]benzamide
SMILESCC1CC1CN(C)C(=O)c1cccc(N)c1
InChIInChI=1S/C13H18N2O/c1-9-6-11(9)8-15(2)13(16)10-4-3-5-12(14)7-10/h3-5,7,9,11H,6,8,14H2,1-2H3
InChIKeyMTRBBLGWSCHZPH-UHFFFAOYSA-N
MW218.30 g/mol
LogP2.00
Rot. Bonds3

About 3-amino-N-methyl-N-[(2-methylcyclopropyl)methyl]benzamide

3-amino-N-methyl-N-[(2-methylcyclopropyl)methyl]benzamide (PubChem CID 63879392) has the molecular formula C13H18N2O and a molecular weight of 218.30 g/mol. Its IUPAC name is 3-amino-N-methyl-N-[(2-methylcyclopropyl)methyl]benzamide.

Molecular Properties

Compound Name3-amino-N-methyl-N-[(2-methylcyclopropyl)methyl]benzamide
PubChem CID63879392
Molecular FormulaC13H18N2O
Molecular Weight218.30 g/mol
Exact Mass218.14
IUPAC Name3-amino-N-methyl-N-[(2-methylcyclopropyl)methyl]benzamide
SMILESCC1CC1CN(C)C(=O)c1cccc(N)c1
InChIInChI=1S/C13H18N2O/c1-9-6-11(9)8-15(2)13(16)10-4-3-5-12(14)7-10/h3-5,7,9,11H,6,8,14H2,1-2H3
InChIKeyMTRBBLGWSCHZPH-UHFFFAOYSA-N
XLogP2.00
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
LogP ≤ 52.00
H-Bond Donors ≤ 51
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 3-amino-N-methyl-N-[(2-methylcyclopropyl)methyl]benzamide?
The IUPAC name of 3-amino-N-methyl-N-[(2-methylcyclopropyl)methyl]benzamide (CID 63879392) is 3-amino-N-methyl-N-[(2-methylcyclopropyl)methyl]benzamide.
What is the SMILES notation for 3-amino-N-methyl-N-[(2-methylcyclopropyl)methyl]benzamide?
The canonical SMILES for 3-amino-N-methyl-N-[(2-methylcyclopropyl)methyl]benzamide is CC1CC1CN(C)C(=O)c1cccc(N)c1.
What is the InChIKey of 3-amino-N-methyl-N-[(2-methylcyclopropyl)methyl]benzamide?
The InChIKey is MTRBBLGWSCHZPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O/c1-9-6-11(9)8-15(2)13(16)10-4-3-5-12(14)7-10/h3-5,7,9,11H,6,8,14H2,1-2H3.
What are the key properties of 3-amino-N-methyl-N-[(2-methylcyclopropyl)methyl]benzamide?
3-amino-N-methyl-N-[(2-methylcyclopropyl)methyl]benzamide has a molecular weight of 218.30 g/mol, XLogP of 2.00, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-methyl-N-[(2-methylcyclopropyl)methyl]benzamide is sourced from PubChem (CID 63879392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).