3-(dimethylamino)-N-(2-methylphenyl)propanamide

C12H18N2O — CID 89469008

IUPAC3-(dimethylamino)-N-(2-methylphenyl)propanamide
SMILESCc1ccccc1NC(=O)CCN(C)C
InChIInChI=1S/C12H18N2O/c1-10-6-4-5-7-11(10)13-12(15)8-9-14(2)3/h4-7H,8-9H2,1-3H3,(H,13,15)
InChIKeyUDKDFRRGRKPJPP-UHFFFAOYSA-N
MW206.29 g/mol
LogP1.89
Rot. Bonds4

About 3-(dimethylamino)-N-(2-methylphenyl)propanamide

3-(dimethylamino)-N-(2-methylphenyl)propanamide (PubChem CID 89469008) has the molecular formula C12H18N2O and a molecular weight of 206.29 g/mol. Its IUPAC name is 3-(dimethylamino)-N-(2-methylphenyl)propanamide.

Molecular Properties

Compound Name3-(dimethylamino)-N-(2-methylphenyl)propanamide
PubChem CID89469008
Molecular FormulaC12H18N2O
Molecular Weight206.29 g/mol
Exact Mass206.14
IUPAC Name3-(dimethylamino)-N-(2-methylphenyl)propanamide
SMILESCc1ccccc1NC(=O)CCN(C)C
InChIInChI=1S/C12H18N2O/c1-10-6-4-5-7-11(10)13-12(15)8-9-14(2)3/h4-7H,8-9H2,1-3H3,(H,13,15)
InChIKeyUDKDFRRGRKPJPP-UHFFFAOYSA-N
XLogP1.89
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.29
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[acetyl-[2-(dimethylamino)ethyl]amino]-N-(2-methylphenyl)propanamide
CID 113117534
3-[acetyl(tert-butyl)amino]-N-(2-methylphenyl)propanamide
CID 113122509
3-(N-acetyl-2-methylanilino)-N-(2-methylphenyl)propanamide
CID 113123619
3-[acetyl(propyl)amino]-N-(2-methylphenyl)propanamide
CID 113115004
N-(3-amino-2-methylphenyl)-3-(dimethylamino)propanamide
CID 16792974
4-hydroxy-N-(2-methylphenyl)pentanamide
CID 79017195
N-(2-methylphenyl)-3-phenoxypropanamide
CID 725619
3-[(2-hydroxycyclopentyl)methyl-methylamino]-N-(2-methylphenyl)propanamide
CID 109394098
3-(N-acetyl-3,5-dimethylanilino)-N-(2-methylphenyl)propanamide
CID 113124717
N-(2-methylphenyl)-3-oxobutanamide
CID 7154
N'-(2-methylphenyl)-N-prop-2-enylbutanediamide
CID 571935
N-(2-methylphenyl)-3-[(2-methylphenyl)methyl-methylsulfonylamino]propanamide
CID 113138799

Frequently Asked Questions

What is the IUPAC name of 3-(dimethylamino)-N-(2-methylphenyl)propanamide?
The IUPAC name of 3-(dimethylamino)-N-(2-methylphenyl)propanamide (CID 89469008) is 3-(dimethylamino)-N-(2-methylphenyl)propanamide.
What is the SMILES notation for 3-(dimethylamino)-N-(2-methylphenyl)propanamide?
The canonical SMILES for 3-(dimethylamino)-N-(2-methylphenyl)propanamide is Cc1ccccc1NC(=O)CCN(C)C.
What is the InChIKey of 3-(dimethylamino)-N-(2-methylphenyl)propanamide?
The InChIKey is UDKDFRRGRKPJPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O/c1-10-6-4-5-7-11(10)13-12(15)8-9-14(2)3/h4-7H,8-9H2,1-3H3,(H,13,15).
What are the key properties of 3-(dimethylamino)-N-(2-methylphenyl)propanamide?
3-(dimethylamino)-N-(2-methylphenyl)propanamide has a molecular weight of 206.29 g/mol, XLogP of 1.89, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(dimethylamino)-N-(2-methylphenyl)propanamide is sourced from PubChem (CID 89469008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).