4-(2,2-dimethylpropylamino)-3-methylbenzamide

C13H20N2O — CID 61324735

IUPAC4-(2,2-dimethylpropylamino)-3-methylbenzamide
SMILESCc1cc(C(N)=O)ccc1NCC(C)(C)C
InChIInChI=1S/C13H20N2O/c1-9-7-10(12(14)16)5-6-11(9)15-8-13(2,3)4/h5-7,15H,8H2,1-4H3,(H2,14,16)
InChIKeyVKELJXIOTMDAOZ-UHFFFAOYSA-N
MW220.32 g/mol
LogP2.55
Rot. Bonds3

About 4-(2,2-dimethylpropylamino)-3-methylbenzamide

4-(2,2-dimethylpropylamino)-3-methylbenzamide (PubChem CID 61324735) has the molecular formula C13H20N2O and a molecular weight of 220.32 g/mol. Its IUPAC name is 4-(2,2-dimethylpropylamino)-3-methylbenzamide.

Molecular Properties

Compound Name4-(2,2-dimethylpropylamino)-3-methylbenzamide
PubChem CID61324735
Molecular FormulaC13H20N2O
Molecular Weight220.32 g/mol
Exact Mass220.16
IUPAC Name4-(2,2-dimethylpropylamino)-3-methylbenzamide
SMILESCc1cc(C(N)=O)ccc1NCC(C)(C)C
InChIInChI=1S/C13H20N2O/c1-9-7-10(12(14)16)5-6-11(9)15-8-13(2,3)4/h5-7,15H,8H2,1-4H3,(H2,14,16)
InChIKeyVKELJXIOTMDAOZ-UHFFFAOYSA-N
XLogP2.55
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.32
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-amino-4-(2,2-dimethylpropylamino)benzamide
CID 61166870
4-[(2,2-dimethylpropylamino)methyl]-3-methylbenzamide
CID 114479983
4-(heptylamino)-3-methylbenzamide
CID 43706885
2-(2,2-dimethylpropylamino)-5-methylbenzene-1,4-dicarboxamide
CID 70906208
4-[[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl]amino]-3-methylbenzamide
CID 167851880
4-[[1-(hydroxymethyl)cyclohexyl]methylamino]-3-methylbenzamide
CID 81413360
4-(2,2-dimethylbutylamino)-3-methylbenzoic acid
CID 103462028
4-[(3-amino-2,2,3-trimethylbutanoyl)amino]-3-methylbenzamide
CID 65264856
3-methyl-4-(3-oxobutanoylamino)benzamide
CID 61251334
4-[[2-(1-aminocyclobutyl)acetyl]amino]-3-methylbenzamide
CID 79851201
4-[(5-bromothiophen-2-yl)methylamino]-3-methylbenzamide
CID 43706863
4-[(4,5-dibromofuran-2-yl)methylamino]-3-methylbenzamide
CID 62085907

Frequently Asked Questions

What is the IUPAC name of 4-(2,2-dimethylpropylamino)-3-methylbenzamide?
The IUPAC name of 4-(2,2-dimethylpropylamino)-3-methylbenzamide (CID 61324735) is 4-(2,2-dimethylpropylamino)-3-methylbenzamide.
What is the SMILES notation for 4-(2,2-dimethylpropylamino)-3-methylbenzamide?
The canonical SMILES for 4-(2,2-dimethylpropylamino)-3-methylbenzamide is Cc1cc(C(N)=O)ccc1NCC(C)(C)C.
What is the InChIKey of 4-(2,2-dimethylpropylamino)-3-methylbenzamide?
The InChIKey is VKELJXIOTMDAOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O/c1-9-7-10(12(14)16)5-6-11(9)15-8-13(2,3)4/h5-7,15H,8H2,1-4H3,(H2,14,16).
What are the key properties of 4-(2,2-dimethylpropylamino)-3-methylbenzamide?
4-(2,2-dimethylpropylamino)-3-methylbenzamide has a molecular weight of 220.32 g/mol, XLogP of 2.55, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,2-dimethylpropylamino)-3-methylbenzamide is sourced from PubChem (CID 61324735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).