4-[(dimethylamino)methyl]-3-methylbenzamide

C11H16N2O — CID 130557552

IUPAC4-[(dimethylamino)methyl]-3-methylbenzamide
SMILESCc1cc(C(N)=O)ccc1CN(C)C
InChIInChI=1S/C11H16N2O/c1-8-6-9(11(12)14)4-5-10(8)7-13(2)3/h4-6H,7H2,1-3H3,(H2,12,14)
InChIKeyUEHUPDSPFMMKQW-UHFFFAOYSA-N
MW192.26 g/mol
LogP1.16
Rot. Bonds3

About 4-[(dimethylamino)methyl]-3-methylbenzamide

4-[(dimethylamino)methyl]-3-methylbenzamide (PubChem CID 130557552) has the molecular formula C11H16N2O and a molecular weight of 192.26 g/mol. Its IUPAC name is 4-[(dimethylamino)methyl]-3-methylbenzamide.

Molecular Properties

Compound Name4-[(dimethylamino)methyl]-3-methylbenzamide
PubChem CID130557552
Molecular FormulaC11H16N2O
Molecular Weight192.26 g/mol
Exact Mass192.13
IUPAC Name4-[(dimethylamino)methyl]-3-methylbenzamide
SMILESCc1cc(C(N)=O)ccc1CN(C)C
InChIInChI=1S/C11H16N2O/c1-8-6-9(11(12)14)4-5-10(8)7-13(2)3/h4-6H,7H2,1-3H3,(H2,12,14)
InChIKeyUEHUPDSPFMMKQW-UHFFFAOYSA-N
XLogP1.16
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.26
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-[[2-aminoethyl(methyl)amino]methyl]-3-methylbenzamide
CID 114484817
methyl 4-[(dimethylamino)methyl]-3-methylbenzoate
CID 69299966
4-[[(3-amino-2,2-dimethylpropyl)-methylamino]methyl]-3-methylbenzamide
CID 114484920
(4-carbamoyl-2-methylphenyl)methanesulfinate
CID 70670718
4-[(2,2-dimethylpropylamino)methyl]-3-methylbenzamide
CID 114479983
4-[(4-carbamoyl-2-methylphenyl)methyl-propan-2-ylamino]butanoic acid
CID 114484567
4-[(dimethylamino)methyl]-3-[(4-methylphenyl)sulfonylamino]benzamide
CID 56806765
3-methyl-4-[(propan-2-ylamino)methyl]benzamide
CID 114479524
3-methyl-4-(2-methyl-3-oxobutyl)benzamide
CID 23442295
N-[5-carbamoyl-2-[(dimethylamino)methyl]phenyl]-5,6-dimethylpyridine-2-carboxamide
CID 167788110
4-[[(4-hydroxyphenyl)methylamino]methyl]-3-methylbenzamide
CID 114480871
4-[[(5-amino-5-oxopentyl)amino]methyl]-3-methylbenzamide
CID 106237505

Frequently Asked Questions

What is the IUPAC name of 4-[(dimethylamino)methyl]-3-methylbenzamide?
The IUPAC name of 4-[(dimethylamino)methyl]-3-methylbenzamide (CID 130557552) is 4-[(dimethylamino)methyl]-3-methylbenzamide.
What is the SMILES notation for 4-[(dimethylamino)methyl]-3-methylbenzamide?
The canonical SMILES for 4-[(dimethylamino)methyl]-3-methylbenzamide is Cc1cc(C(N)=O)ccc1CN(C)C.
What is the InChIKey of 4-[(dimethylamino)methyl]-3-methylbenzamide?
The InChIKey is UEHUPDSPFMMKQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O/c1-8-6-9(11(12)14)4-5-10(8)7-13(2)3/h4-6H,7H2,1-3H3,(H2,12,14).
What are the key properties of 4-[(dimethylamino)methyl]-3-methylbenzamide?
4-[(dimethylamino)methyl]-3-methylbenzamide has a molecular weight of 192.26 g/mol, XLogP of 1.16, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(dimethylamino)methyl]-3-methylbenzamide is sourced from PubChem (CID 130557552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).