3-methyl-4-[(propan-2-ylamino)methyl]benzamide

C12H18N2O — CID 114479524

IUPAC3-methyl-4-[(propan-2-ylamino)methyl]benzamide
SMILESCc1cc(C(N)=O)ccc1CNC(C)C
InChIInChI=1S/C12H18N2O/c1-8(2)14-7-11-5-4-10(12(13)15)6-9(11)3/h4-6,8,14H,7H2,1-3H3,(H2,13,15)
InChIKeyFBEDLXZFLLCQJW-UHFFFAOYSA-N
MW206.29 g/mol
LogP1.59
Rot. Bonds4

About 3-methyl-4-[(propan-2-ylamino)methyl]benzamide

3-methyl-4-[(propan-2-ylamino)methyl]benzamide (PubChem CID 114479524) has the molecular formula C12H18N2O and a molecular weight of 206.29 g/mol. Its IUPAC name is 3-methyl-4-[(propan-2-ylamino)methyl]benzamide.

Molecular Properties

Compound Name3-methyl-4-[(propan-2-ylamino)methyl]benzamide
PubChem CID114479524
Molecular FormulaC12H18N2O
Molecular Weight206.29 g/mol
Exact Mass206.14
IUPAC Name3-methyl-4-[(propan-2-ylamino)methyl]benzamide
SMILESCc1cc(C(N)=O)ccc1CNC(C)C
InChIInChI=1S/C12H18N2O/c1-8(2)14-7-11-5-4-10(12(13)15)6-9(11)3/h4-6,8,14H,7H2,1-3H3,(H2,13,15)
InChIKeyFBEDLXZFLLCQJW-UHFFFAOYSA-N
XLogP1.59
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.29
LogP ≤ 51.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-[(4-methoxybutan-2-ylamino)methyl]-3-methylbenzamide
CID 114480398
3-methyl-4-[[[(1S)-1-(2-methylphenyl)ethyl]amino]methyl]benzamide
CID 104930123
3-methyl-4-[(1-pyrrolidin-1-ylpropan-2-ylamino)methyl]benzamide
CID 114480039
3-methyl-4-[(4-methylsulfinylbutan-2-ylamino)methyl]benzamide
CID 114480829
3-methyl-4-[[[(1R)-1-(3-methylphenyl)ethyl]amino]methyl]benzamide
CID 104930103
4-fluoro-3-[(propan-2-ylamino)methyl]benzamide
CID 24694362
4-[(3-ethylpentan-3-ylamino)methyl]-3-methylbenzamide
CID 114480428
4-[[1-(5-chlorothiophen-2-yl)ethylamino]methyl]-3-methylbenzamide
CID 114480030
3-methyl-4-[[1-(1,3-thiazol-2-yl)ethylamino]methyl]benzamide
CID 114480389
4-(anilinomethyl)-3-methylbenzamide
CID 114479545
4-[(2,2-dimethylpropylamino)methyl]-3-methylbenzamide
CID 114479983
4-[[(1-hydroxycyclobutyl)methylamino]methyl]-3-methylbenzamide
CID 114480854

Frequently Asked Questions

What is the IUPAC name of 3-methyl-4-[(propan-2-ylamino)methyl]benzamide?
The IUPAC name of 3-methyl-4-[(propan-2-ylamino)methyl]benzamide (CID 114479524) is 3-methyl-4-[(propan-2-ylamino)methyl]benzamide.
What is the SMILES notation for 3-methyl-4-[(propan-2-ylamino)methyl]benzamide?
The canonical SMILES for 3-methyl-4-[(propan-2-ylamino)methyl]benzamide is Cc1cc(C(N)=O)ccc1CNC(C)C.
What is the InChIKey of 3-methyl-4-[(propan-2-ylamino)methyl]benzamide?
The InChIKey is FBEDLXZFLLCQJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O/c1-8(2)14-7-11-5-4-10(12(13)15)6-9(11)3/h4-6,8,14H,7H2,1-3H3,(H2,13,15).
What are the key properties of 3-methyl-4-[(propan-2-ylamino)methyl]benzamide?
3-methyl-4-[(propan-2-ylamino)methyl]benzamide has a molecular weight of 206.29 g/mol, XLogP of 1.59, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-4-[(propan-2-ylamino)methyl]benzamide is sourced from PubChem (CID 114479524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).