4-[(2,2-dimethylpropylamino)methyl]-3-methylbenzamide

C14H22N2O — CID 114479983

IUPAC4-[(2,2-dimethylpropylamino)methyl]-3-methylbenzamide
SMILESCc1cc(C(N)=O)ccc1CNCC(C)(C)C
InChIInChI=1S/C14H22N2O/c1-10-7-11(13(15)17)5-6-12(10)8-16-9-14(2,3)4/h5-7,16H,8-9H2,1-4H3,(H2,15,17)
InChIKeyKSWVLBFHFIWNOL-UHFFFAOYSA-N
MW234.34 g/mol
LogP2.23
Rot. Bonds4

About 4-[(2,2-dimethylpropylamino)methyl]-3-methylbenzamide

4-[(2,2-dimethylpropylamino)methyl]-3-methylbenzamide (PubChem CID 114479983) has the molecular formula C14H22N2O and a molecular weight of 234.34 g/mol. Its IUPAC name is 4-[(2,2-dimethylpropylamino)methyl]-3-methylbenzamide.

Molecular Properties

Compound Name4-[(2,2-dimethylpropylamino)methyl]-3-methylbenzamide
PubChem CID114479983
Molecular FormulaC14H22N2O
Molecular Weight234.34 g/mol
Exact Mass234.17
IUPAC Name4-[(2,2-dimethylpropylamino)methyl]-3-methylbenzamide
SMILESCc1cc(C(N)=O)ccc1CNCC(C)(C)C
InChIInChI=1S/C14H22N2O/c1-10-7-11(13(15)17)5-6-12(10)8-16-9-14(2,3)4/h5-7,16H,8-9H2,1-4H3,(H2,15,17)
InChIKeyKSWVLBFHFIWNOL-UHFFFAOYSA-N
XLogP2.23
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-[[(2-ethyl-2-hydroxybutyl)amino]methyl]-3-methylbenzamide
CID 114480433
4-[[(5-hydroxy-2,2-dimethylpentyl)amino]methyl]-3-methylbenzamide
CID 106147368
4-(anilinomethyl)-3-methylbenzamide
CID 114479545
4-[[(4-hydroxyphenyl)methylamino]methyl]-3-methylbenzamide
CID 114480871
4-[[(5-amino-5-oxopentyl)amino]methyl]-3-methylbenzamide
CID 106237505
4-(2,2-dimethylpropylamino)-3-methylbenzamide
CID 61324735
4-[(3-ethylpentan-3-ylamino)methyl]-3-methylbenzamide
CID 114480428
4-[(5-hydroxypentylamino)methyl]-3-methylbenzamide
CID 107317528
4-[[(1-hydroxycyclobutyl)methylamino]methyl]-3-methylbenzamide
CID 114480854
3-methyl-4-[[(2-oxo-2-pyrrolidin-1-ylethyl)amino]methyl]benzamide
CID 114480710
3-methyl-4-[(propan-2-ylamino)methyl]benzamide
CID 114479524
4-[(2-cyclopropylpropan-2-ylamino)methyl]-3-methylbenzamide
CID 114110930

Frequently Asked Questions

What is the IUPAC name of 4-[(2,2-dimethylpropylamino)methyl]-3-methylbenzamide?
The IUPAC name of 4-[(2,2-dimethylpropylamino)methyl]-3-methylbenzamide (CID 114479983) is 4-[(2,2-dimethylpropylamino)methyl]-3-methylbenzamide.
What is the SMILES notation for 4-[(2,2-dimethylpropylamino)methyl]-3-methylbenzamide?
The canonical SMILES for 4-[(2,2-dimethylpropylamino)methyl]-3-methylbenzamide is Cc1cc(C(N)=O)ccc1CNCC(C)(C)C.
What is the InChIKey of 4-[(2,2-dimethylpropylamino)methyl]-3-methylbenzamide?
The InChIKey is KSWVLBFHFIWNOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O/c1-10-7-11(13(15)17)5-6-12(10)8-16-9-14(2,3)4/h5-7,16H,8-9H2,1-4H3,(H2,15,17).
What are the key properties of 4-[(2,2-dimethylpropylamino)methyl]-3-methylbenzamide?
4-[(2,2-dimethylpropylamino)methyl]-3-methylbenzamide has a molecular weight of 234.34 g/mol, XLogP of 2.23, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2,2-dimethylpropylamino)methyl]-3-methylbenzamide is sourced from PubChem (CID 114479983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).