N-[2-(dimethylamino)ethyl]-2-(2-methylpropanoylamino)benzamide;hydrochloride

C15H24ClN3O2 — CID 45370530

IUPACN-[2-(dimethylamino)ethyl]-2-(2-methylpropanoylamino)benzamide;hydrochloride
SMILESCC(C)C(=O)Nc1ccccc1C(=O)NCCN(C)C.Cl
InChIInChI=1S/C15H23N3O2.ClH/c1-11(2)14(19)17-13-8-6-5-7-12(13)15(20)16-9-10-18(3)4;/h5-8,11H,9-10H2,1-4H3,(H,16,20)(H,17,19);1H
InChIKeyUQHXNQKZBGKFLH-UHFFFAOYSA-N
MW313.83 g/mol
LogP1.99
Rot. Bonds6

About N-[2-(dimethylamino)ethyl]-2-(2-methylpropanoylamino)benzamide;hydrochloride

N-[2-(dimethylamino)ethyl]-2-(2-methylpropanoylamino)benzamide;hydrochloride (PubChem CID 45370530) has the molecular formula C15H24ClN3O2 and a molecular weight of 313.83 g/mol. Its IUPAC name is N-[2-(dimethylamino)ethyl]-2-(2-methylpropanoylamino)benzamide;hydrochloride.

Molecular Properties

Compound NameN-[2-(dimethylamino)ethyl]-2-(2-methylpropanoylamino)benzamide;hydrochloride
PubChem CID45370530
Molecular FormulaC15H24ClN3O2
Molecular Weight313.83 g/mol
Exact Mass313.16
IUPAC NameN-[2-(dimethylamino)ethyl]-2-(2-methylpropanoylamino)benzamide;hydrochloride
SMILESCC(C)C(=O)Nc1ccccc1C(=O)NCCN(C)C.Cl
InChIInChI=1S/C15H23N3O2.ClH/c1-11(2)14(19)17-13-8-6-5-7-12(13)15(20)16-9-10-18(3)4;/h5-8,11H,9-10H2,1-4H3,(H,16,20)(H,17,19);1H
InChIKeyUQHXNQKZBGKFLH-UHFFFAOYSA-N
XLogP1.99
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.83
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-methylpropanoylamino)-N-propylbenzamide
CID 31287518
2-[2-[2-(dimethylamino)ethylcarbamoyl]phenyl]acetic acid
CID 114199769
2-benzamido-N-[2-(2-methylpropanoylamino)ethyl]benzamide
CID 30548525
N-[2-(dimethylamino)ethyl]-2-(2-methylanilino)benzamide
CID 163646514
N-(2-aminoethyl)-2-[[4-(2-methylpropanoylamino)benzoyl]amino]benzamide
CID 120603872
2-(2-methylpropanoylamino)-N-propan-2-ylbenzamide
CID 34564562
N-[2-(dimethylamino)ethyl]-2-(2-phenylethyl)benzamide
CID 71396924
2-[[(2R)-2-chloropropanoyl]amino]-N-propylbenzamide
CID 92660374
2-[[(2S)-2-chloropropanoyl]amino]-N-propylbenzamide
CID 92660375
N-(2-aminoethyl)-2-[[2-[methyl(propan-2-yl)amino]acetyl]amino]benzamide;dihydrochloride
CID 120603824
N-benzyl-N-methyl-2-(2-methylpropanoylamino)benzamide
CID 30336748
N-[3-(dimethylamino)propyl]-2-[(4-phenylbenzoyl)amino]benzamide;hydrochloride
CID 52995391

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)ethyl]-2-(2-methylpropanoylamino)benzamide;hydrochloride?
The IUPAC name of N-[2-(dimethylamino)ethyl]-2-(2-methylpropanoylamino)benzamide;hydrochloride (CID 45370530) is N-[2-(dimethylamino)ethyl]-2-(2-methylpropanoylamino)benzamide;hydrochloride.
What is the SMILES notation for N-[2-(dimethylamino)ethyl]-2-(2-methylpropanoylamino)benzamide;hydrochloride?
The canonical SMILES for N-[2-(dimethylamino)ethyl]-2-(2-methylpropanoylamino)benzamide;hydrochloride is CC(C)C(=O)Nc1ccccc1C(=O)NCCN(C)C.Cl.
What is the InChIKey of N-[2-(dimethylamino)ethyl]-2-(2-methylpropanoylamino)benzamide;hydrochloride?
The InChIKey is UQHXNQKZBGKFLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O2.ClH/c1-11(2)14(19)17-13-8-6-5-7-12(13)15(20)16-9-10-18(3)4;/h5-8,11H,9-10H2,1-4H3,(H,16,20)(H,17,19);1H.
What are the key properties of N-[2-(dimethylamino)ethyl]-2-(2-methylpropanoylamino)benzamide;hydrochloride?
N-[2-(dimethylamino)ethyl]-2-(2-methylpropanoylamino)benzamide;hydrochloride has a molecular weight of 313.83 g/mol, XLogP of 1.99, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)ethyl]-2-(2-methylpropanoylamino)benzamide;hydrochloride is sourced from PubChem (CID 45370530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).