3-amino-4-(dimethylamino)-N-[(1-methylcyclopropyl)methyl]benzamide

C14H21N3O — CID 114098981

IUPAC3-amino-4-(dimethylamino)-N-[(1-methylcyclopropyl)methyl]benzamide
SMILESCN(C)c1ccc(C(=O)NCC2(C)CC2)cc1N
InChIInChI=1S/C14H21N3O/c1-14(6-7-14)9-16-13(18)10-4-5-12(17(2)3)11(15)8-10/h4-5,8H,6-7,9,15H2,1-3H3,(H,16,18)
InChIKeyDXNJUHZGVSXBJS-UHFFFAOYSA-N
MW247.34 g/mol
LogP1.86
Rot. Bonds4

About 3-amino-4-(dimethylamino)-N-[(1-methylcyclopropyl)methyl]benzamide

3-amino-4-(dimethylamino)-N-[(1-methylcyclopropyl)methyl]benzamide (PubChem CID 114098981) has the molecular formula C14H21N3O and a molecular weight of 247.34 g/mol. Its IUPAC name is 3-amino-4-(dimethylamino)-N-[(1-methylcyclopropyl)methyl]benzamide.

Molecular Properties

Compound Name3-amino-4-(dimethylamino)-N-[(1-methylcyclopropyl)methyl]benzamide
PubChem CID114098981
Molecular FormulaC14H21N3O
Molecular Weight247.34 g/mol
Exact Mass247.17
IUPAC Name3-amino-4-(dimethylamino)-N-[(1-methylcyclopropyl)methyl]benzamide
SMILESCN(C)c1ccc(C(=O)NCC2(C)CC2)cc1N
InChIInChI=1S/C14H21N3O/c1-14(6-7-14)9-16-13(18)10-4-5-12(17(2)3)11(15)8-10/h4-5,8H,6-7,9,15H2,1-3H3,(H,16,18)
InChIKeyDXNJUHZGVSXBJS-UHFFFAOYSA-N
XLogP1.86
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 3-amino-4-(dimethylamino)-N-[(1-methylcyclopropyl)methyl]benzamide?
The IUPAC name of 3-amino-4-(dimethylamino)-N-[(1-methylcyclopropyl)methyl]benzamide (CID 114098981) is 3-amino-4-(dimethylamino)-N-[(1-methylcyclopropyl)methyl]benzamide.
What is the SMILES notation for 3-amino-4-(dimethylamino)-N-[(1-methylcyclopropyl)methyl]benzamide?
The canonical SMILES for 3-amino-4-(dimethylamino)-N-[(1-methylcyclopropyl)methyl]benzamide is CN(C)c1ccc(C(=O)NCC2(C)CC2)cc1N.
What is the InChIKey of 3-amino-4-(dimethylamino)-N-[(1-methylcyclopropyl)methyl]benzamide?
The InChIKey is DXNJUHZGVSXBJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O/c1-14(6-7-14)9-16-13(18)10-4-5-12(17(2)3)11(15)8-10/h4-5,8H,6-7,9,15H2,1-3H3,(H,16,18).
What are the key properties of 3-amino-4-(dimethylamino)-N-[(1-methylcyclopropyl)methyl]benzamide?
3-amino-4-(dimethylamino)-N-[(1-methylcyclopropyl)methyl]benzamide has a molecular weight of 247.34 g/mol, XLogP of 1.86, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-(dimethylamino)-N-[(1-methylcyclopropyl)methyl]benzamide is sourced from PubChem (CID 114098981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).