N-(2-aminoethyl)-N-butyl-2,5-dimethylbenzamide

C15H24N2O — CID 63754246

IUPACN-(2-aminoethyl)-N-butyl-2,5-dimethylbenzamide
SMILESCCCCN(CCN)C(=O)c1cc(C)ccc1C
InChIInChI=1S/C15H24N2O/c1-4-5-9-17(10-8-16)15(18)14-11-12(2)6-7-13(14)3/h6-7,11H,4-5,8-10,16H2,1-3H3
InChIKeyBQEQCWXXLWTMQK-UHFFFAOYSA-N
MW248.37 g/mol
LogP2.50
Rot. Bonds6

About N-(2-aminoethyl)-N-butyl-2,5-dimethylbenzamide

N-(2-aminoethyl)-N-butyl-2,5-dimethylbenzamide (PubChem CID 63754246) has the molecular formula C15H24N2O and a molecular weight of 248.37 g/mol. Its IUPAC name is N-(2-aminoethyl)-N-butyl-2,5-dimethylbenzamide.

Molecular Properties

Compound NameN-(2-aminoethyl)-N-butyl-2,5-dimethylbenzamide
PubChem CID63754246
Molecular FormulaC15H24N2O
Molecular Weight248.37 g/mol
Exact Mass248.19
IUPAC NameN-(2-aminoethyl)-N-butyl-2,5-dimethylbenzamide
SMILESCCCCN(CCN)C(=O)c1cc(C)ccc1C
InChIInChI=1S/C15H24N2O/c1-4-5-9-17(10-8-16)15(18)14-11-12(2)6-7-13(14)3/h6-7,11H,4-5,8-10,16H2,1-3H3
InChIKeyBQEQCWXXLWTMQK-UHFFFAOYSA-N
XLogP2.50
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-aminoethyl)-2,4-dimethyl-N-propylbenzamide
CID 61349150
N,N-diethyl-2,5-dimethylbenzamide
CID 15621070
2-(3-aminoprop-1-ynyl)-N-butyl-N-(2-hydroxyethyl)-5-methylbenzamide
CID 81112859
2-amino-5-methyl-N,N-dipropylbenzamide
CID 62073624
N-(2-aminoethyl)-N-butyl-2-fluoro-4-methoxybenzamide
CID 102885358
N-[(4-aminophenyl)methyl]-N-ethyl-2,5-dimethylbenzamide
CID 43458688
N-(2-aminoethyl)-2-fluoro-5-methyl-N-(2,2,2-trifluoroethyl)benzamide
CID 107493456
2-methyl-N,N-dipentylbenzamide
CID 4576290
N-(2-aminoethyl)-N-butyl-2,3,4,5,6-pentafluorobenzamide
CID 63754248
2-methoxy-5-methyl-N,N-dipropylbenzamide
CID 110761077
1-(3-aminopropyl)-1-(2,5-dimethylphenyl)urea
CID 82392337
N-(2-aminoethyl)-N-butyl-2-(difluoromethoxy)benzamide
CID 63754069

Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-N-butyl-2,5-dimethylbenzamide?
The IUPAC name of N-(2-aminoethyl)-N-butyl-2,5-dimethylbenzamide (CID 63754246) is N-(2-aminoethyl)-N-butyl-2,5-dimethylbenzamide.
What is the SMILES notation for N-(2-aminoethyl)-N-butyl-2,5-dimethylbenzamide?
The canonical SMILES for N-(2-aminoethyl)-N-butyl-2,5-dimethylbenzamide is CCCCN(CCN)C(=O)c1cc(C)ccc1C.
What is the InChIKey of N-(2-aminoethyl)-N-butyl-2,5-dimethylbenzamide?
The InChIKey is BQEQCWXXLWTMQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O/c1-4-5-9-17(10-8-16)15(18)14-11-12(2)6-7-13(14)3/h6-7,11H,4-5,8-10,16H2,1-3H3.
What are the key properties of N-(2-aminoethyl)-N-butyl-2,5-dimethylbenzamide?
N-(2-aminoethyl)-N-butyl-2,5-dimethylbenzamide has a molecular weight of 248.37 g/mol, XLogP of 2.50, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-N-butyl-2,5-dimethylbenzamide is sourced from PubChem (CID 63754246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).