N-(3-aminobutyl)-2,4-dimethylbenzamide

C13H20N2O — CID 63254051

IUPACN-(3-aminobutyl)-2,4-dimethylbenzamide
SMILESCc1ccc(C(=O)NCCC(C)N)c(C)c1
InChIInChI=1S/C13H20N2O/c1-9-4-5-12(10(2)8-9)13(16)15-7-6-11(3)14/h4-5,8,11H,6-7,14H2,1-3H3,(H,15,16)
InChIKeyIWBBAPIVMIHYTD-UHFFFAOYSA-N
MW220.32 g/mol
LogP1.77
Rot. Bonds4

About N-(3-aminobutyl)-2,4-dimethylbenzamide

N-(3-aminobutyl)-2,4-dimethylbenzamide (PubChem CID 63254051) has the molecular formula C13H20N2O and a molecular weight of 220.32 g/mol. Its IUPAC name is N-(3-aminobutyl)-2,4-dimethylbenzamide.

Molecular Properties

Compound NameN-(3-aminobutyl)-2,4-dimethylbenzamide
PubChem CID63254051
Molecular FormulaC13H20N2O
Molecular Weight220.32 g/mol
Exact Mass220.16
IUPAC NameN-(3-aminobutyl)-2,4-dimethylbenzamide
SMILESCc1ccc(C(=O)NCCC(C)N)c(C)c1
InChIInChI=1S/C13H20N2O/c1-9-4-5-12(10(2)8-9)13(16)15-7-6-11(3)14/h4-5,8,11H,6-7,14H2,1-3H3,(H,15,16)
InChIKeyIWBBAPIVMIHYTD-UHFFFAOYSA-N
XLogP1.77
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.32
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3-aminobutyl)-4-methylbenzamide;hydrochloride
CID 119497304
2,4-dimethyl-N-(3-propan-2-yloxypropyl)benzamide
CID 56920695
ethane;N-(2-methoxyethyl)-2,4-dimethylbenzamide
CID 178149105
N-(3-aminobutyl)-3-bromo-4-methylbenzamide
CID 81476590
N-(3-amino-4-methoxybutyl)-2,5-dimethylbenzamide
CID 114163030
N-[3-(2,5-dimethylfuran-3-yl)-3-hydroxypropyl]-2,4-dimethylbenzamide
CID 121133041
N-(4-iodobutyl)-2,4-dimethylbenzamide
CID 106846408
N-(3-aminobutyl)-2-iodo-3-methylbenzamide
CID 103806260
2,4-dimethyl-N-[(2S)-2-phenylpropyl]benzamide
CID 26778990
N-(3-aminobutyl)-2-methyl-5-[(4-methylphenyl)sulfamoyl]benzamide
CID 119499223
N-(3-aminobutyl)-5-(diethylsulfamoyl)-2-methylbenzamide
CID 119496133
N-(5-bromopentyl)-2,4-dimethylbenzamide
CID 107321862

Frequently Asked Questions

What is the IUPAC name of N-(3-aminobutyl)-2,4-dimethylbenzamide?
The IUPAC name of N-(3-aminobutyl)-2,4-dimethylbenzamide (CID 63254051) is N-(3-aminobutyl)-2,4-dimethylbenzamide.
What is the SMILES notation for N-(3-aminobutyl)-2,4-dimethylbenzamide?
The canonical SMILES for N-(3-aminobutyl)-2,4-dimethylbenzamide is Cc1ccc(C(=O)NCCC(C)N)c(C)c1.
What is the InChIKey of N-(3-aminobutyl)-2,4-dimethylbenzamide?
The InChIKey is IWBBAPIVMIHYTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O/c1-9-4-5-12(10(2)8-9)13(16)15-7-6-11(3)14/h4-5,8,11H,6-7,14H2,1-3H3,(H,15,16).
What are the key properties of N-(3-aminobutyl)-2,4-dimethylbenzamide?
N-(3-aminobutyl)-2,4-dimethylbenzamide has a molecular weight of 220.32 g/mol, XLogP of 1.77, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminobutyl)-2,4-dimethylbenzamide is sourced from PubChem (CID 63254051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).