N-tert-butyl-N-methyl-3-(methylamino)benzamide

C13H20N2O — CID 115160852

IUPACN-tert-butyl-N-methyl-3-(methylamino)benzamide
SMILESCNc1cccc(C(=O)N(C)C(C)(C)C)c1
InChIInChI=1S/C13H20N2O/c1-13(2,3)15(5)12(16)10-7-6-8-11(9-10)14-4/h6-9,14H,1-5H3
InChIKeyKZIJWKJXJHSQAN-UHFFFAOYSA-N
MW220.32 g/mol
LogP2.60
Rot. Bonds2

About N-tert-butyl-N-methyl-3-(methylamino)benzamide

N-tert-butyl-N-methyl-3-(methylamino)benzamide (PubChem CID 115160852) has the molecular formula C13H20N2O and a molecular weight of 220.32 g/mol. Its IUPAC name is N-tert-butyl-N-methyl-3-(methylamino)benzamide.

Molecular Properties

Compound NameN-tert-butyl-N-methyl-3-(methylamino)benzamide
PubChem CID115160852
Molecular FormulaC13H20N2O
Molecular Weight220.32 g/mol
Exact Mass220.16
IUPAC NameN-tert-butyl-N-methyl-3-(methylamino)benzamide
SMILESCNc1cccc(C(=O)N(C)C(C)(C)C)c1
InChIInChI=1S/C13H20N2O/c1-13(2,3)15(5)12(16)10-7-6-8-11(9-10)14-4/h6-9,14H,1-5H3
InChIKeyKZIJWKJXJHSQAN-UHFFFAOYSA-N
XLogP2.60
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.32
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N,N-dimethyl-3-(methylamino)benzamide;ethane
CID 91408702
3-(methylamino)benzoic acid;hydrochloride
CID 55250935
N-(2-hydroxyethyl)-N-methyl-3-(methylamino)benzamide
CID 70790159
N-cyclobutyl-N-methyl-3-(methylamino)benzamide
CID 115160881
3-(methylamino)benzamide
CID 18727714
N-(5-bromothiophen-2-yl)-N-methyl-3-(methylamino)benzamide
CID 115160861
N-tert-butyl-3-cyclopropyl-N-methylbenzamide
CID 138467117
ethane;3-(methylamino)benzamide
CID 142071023
[3-(methylamino)phenyl]-phenylmethanone
CID 19894083
N-tert-butyl-N-methylnaphthalene-2-carboxamide
CID 90337297
N-(cyclobutylmethyl)-N-methyl-3-(methylamino)benzamide
CID 115160920
3-(dimethylamino)-1-[3-(methylamino)phenyl]prop-2-en-1-one
CID 67198189

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-N-methyl-3-(methylamino)benzamide?
The IUPAC name of N-tert-butyl-N-methyl-3-(methylamino)benzamide (CID 115160852) is N-tert-butyl-N-methyl-3-(methylamino)benzamide.
What is the SMILES notation for N-tert-butyl-N-methyl-3-(methylamino)benzamide?
The canonical SMILES for N-tert-butyl-N-methyl-3-(methylamino)benzamide is CNc1cccc(C(=O)N(C)C(C)(C)C)c1.
What is the InChIKey of N-tert-butyl-N-methyl-3-(methylamino)benzamide?
The InChIKey is KZIJWKJXJHSQAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O/c1-13(2,3)15(5)12(16)10-7-6-8-11(9-10)14-4/h6-9,14H,1-5H3.
What are the key properties of N-tert-butyl-N-methyl-3-(methylamino)benzamide?
N-tert-butyl-N-methyl-3-(methylamino)benzamide has a molecular weight of 220.32 g/mol, XLogP of 2.60, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-N-methyl-3-(methylamino)benzamide is sourced from PubChem (CID 115160852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).