4-methyl-N-[3-(methylamino)propyl]benzamide

C12H18N2O — CID 18336628

IUPAC4-methyl-N-[3-(methylamino)propyl]benzamide
SMILESCNCCCNC(=O)c1ccc(C)cc1
InChIInChI=1S/C12H18N2O/c1-10-4-6-11(7-5-10)12(15)14-9-3-8-13-2/h4-7,13H,3,8-9H2,1-2H3,(H,14,15)
InChIKeyRCXRDHLGZPXDTA-UHFFFAOYSA-N
MW206.29 g/mol
LogP1.33
Rot. Bonds5

About 4-methyl-N-[3-(methylamino)propyl]benzamide

4-methyl-N-[3-(methylamino)propyl]benzamide (PubChem CID 18336628) has the molecular formula C12H18N2O and a molecular weight of 206.29 g/mol. Its IUPAC name is 4-methyl-N-[3-(methylamino)propyl]benzamide.

Molecular Properties

Compound Name4-methyl-N-[3-(methylamino)propyl]benzamide
PubChem CID18336628
Molecular FormulaC12H18N2O
Molecular Weight206.29 g/mol
Exact Mass206.14
IUPAC Name4-methyl-N-[3-(methylamino)propyl]benzamide
SMILESCNCCCNC(=O)c1ccc(C)cc1
InChIInChI=1S/C12H18N2O/c1-10-4-6-11(7-5-10)12(15)14-9-3-8-13-2/h4-7,13H,3,8-9H2,1-2H3,(H,14,15)
InChIKeyRCXRDHLGZPXDTA-UHFFFAOYSA-N
XLogP1.33
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.29
LogP ≤ 51.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-methyl-N-[2-(methylamino)ethyl]benzamide
CID 59535801
4-acetyl-N-[6-(methylamino)hexyl]benzamide
CID 54472432
4-methyl-N-(4-oxopentyl)benzamide
CID 86117000
N-[3-(methylamino)propyl]-4-propylbenzamide;hydrochloride
CID 119433201
N-(3-aminooxypropyl)-4-methylbenzamide
CID 39242066
7-[(4-methylbenzoyl)amino]heptanoic acid
CID 24695278
N-(2-acetamidoethyl)-4-methylbenzamide
CID 4186573
N-[2-[(4-methoxybenzoyl)amino]ethyl]-4-methylbenzamide
CID 108537787
N-[3-(dimethylamino)propyl]-4-(4-methylphenyl)benzamide
CID 162362191
N-(4-amino-4-sulfanylidenebutyl)-4-methylbenzamide
CID 62666220
4-methyl-N-(3-propan-2-yloxypropyl)benzamide
CID 58973544
N-[2-[bis[2-[(4-methylbenzoyl)amino]ethyl]amino]ethyl]-4-methylbenzamide
CID 15462667

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[3-(methylamino)propyl]benzamide?
The IUPAC name of 4-methyl-N-[3-(methylamino)propyl]benzamide (CID 18336628) is 4-methyl-N-[3-(methylamino)propyl]benzamide.
What is the SMILES notation for 4-methyl-N-[3-(methylamino)propyl]benzamide?
The canonical SMILES for 4-methyl-N-[3-(methylamino)propyl]benzamide is CNCCCNC(=O)c1ccc(C)cc1.
What is the InChIKey of 4-methyl-N-[3-(methylamino)propyl]benzamide?
The InChIKey is RCXRDHLGZPXDTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O/c1-10-4-6-11(7-5-10)12(15)14-9-3-8-13-2/h4-7,13H,3,8-9H2,1-2H3,(H,14,15).
What are the key properties of 4-methyl-N-[3-(methylamino)propyl]benzamide?
4-methyl-N-[3-(methylamino)propyl]benzamide has a molecular weight of 206.29 g/mol, XLogP of 1.33, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[3-(methylamino)propyl]benzamide is sourced from PubChem (CID 18336628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).