N-(2-aminoethyl)-2-[(2,2-dimethylcyclopropanecarbonyl)amino]benzamide;hydrochloride

C15H22ClN3O2 — CID 120603623

IUPACN-(2-aminoethyl)-2-[(2,2-dimethylcyclopropanecarbonyl)amino]benzamide;hydrochloride
SMILESCC1(C)CC1C(=O)Nc1ccccc1C(=O)NCCN.Cl
InChIInChI=1S/C15H21N3O2.ClH/c1-15(2)9-11(15)14(20)18-12-6-4-3-5-10(12)13(19)17-8-7-16;/h3-6,11H,7-9,16H2,1-2H3,(H,17,19)(H,18,20);1H
InChIKeyZXHSZGYNKCVJHM-UHFFFAOYSA-N
MW311.81 g/mol
LogP1.78
Rot. Bonds5

About N-(2-aminoethyl)-2-[(2,2-dimethylcyclopropanecarbonyl)amino]benzamide;hydrochloride

N-(2-aminoethyl)-2-[(2,2-dimethylcyclopropanecarbonyl)amino]benzamide;hydrochloride (PubChem CID 120603623) has the molecular formula C15H22ClN3O2 and a molecular weight of 311.81 g/mol. Its IUPAC name is N-(2-aminoethyl)-2-[(2,2-dimethylcyclopropanecarbonyl)amino]benzamide;hydrochloride.

Molecular Properties

Compound NameN-(2-aminoethyl)-2-[(2,2-dimethylcyclopropanecarbonyl)amino]benzamide;hydrochloride
PubChem CID120603623
Molecular FormulaC15H22ClN3O2
Molecular Weight311.81 g/mol
Exact Mass311.14
IUPAC NameN-(2-aminoethyl)-2-[(2,2-dimethylcyclopropanecarbonyl)amino]benzamide;hydrochloride
SMILESCC1(C)CC1C(=O)Nc1ccccc1C(=O)NCCN.Cl
InChIInChI=1S/C15H21N3O2.ClH/c1-15(2)9-11(15)14(20)18-12-6-4-3-5-10(12)13(19)17-8-7-16;/h3-6,11H,7-9,16H2,1-2H3,(H,17,19)(H,18,20);1H
InChIKeyZXHSZGYNKCVJHM-UHFFFAOYSA-N
XLogP1.78
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.81
LogP ≤ 51.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 120604417
N-(2-aminoethyl)-2-[(2-methylcyclopentanecarbonyl)amino]benzamide
CID 107181192
N-(2-aminoethyl)-2-[(2-ethoxycyclopropanecarbonyl)amino]benzamide;hydrochloride
CID 120604335
N-(2-aminoethyl)-2-[[2-(2-methylphenyl)cyclopropanecarbonyl]amino]benzamide
CID 120603302
N-[2-(2-aminoethylcarbamoyl)phenyl]-1,4-dioxane-2-carboxamide;hydrochloride
CID 120603354
N-(2-aminoethyl)-2-(dimethylcarbamoylamino)benzamide
CID 107000060
N-(2-aminoethyl)-2-[[2-(4-propan-2-ylphenyl)cyclopropanecarbonyl]amino]benzamide;hydrochloride
CID 120603943
1-acetyl-N-[2-(2-aminoethylcarbamoyl)phenyl]piperidine-3-carboxamide;hydrochloride
CID 120604476
N-(2-aminoethyl)-2-[[2-(3,4-difluorophenyl)cyclopropanecarbonyl]amino]benzamide;hydrochloride
CID 120603955
N-[2-(2-aminoethylcarbamoyl)phenyl]-1-(2-methoxyethyl)-5-oxopyrrolidine-3-carboxamide;hydrochloride
CID 120604485
N-(2-aminoethyl)-2-[(2-tert-butylsulfanylacetyl)amino]benzamide;hydrochloride
CID 120604222
N-(2-aminoethyl)-2-[(2-cycloheptylacetyl)amino]benzamide
CID 120604092

Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-2-[(2,2-dimethylcyclopropanecarbonyl)amino]benzamide;hydrochloride?
The IUPAC name of N-(2-aminoethyl)-2-[(2,2-dimethylcyclopropanecarbonyl)amino]benzamide;hydrochloride (CID 120603623) is N-(2-aminoethyl)-2-[(2,2-dimethylcyclopropanecarbonyl)amino]benzamide;hydrochloride.
What is the SMILES notation for N-(2-aminoethyl)-2-[(2,2-dimethylcyclopropanecarbonyl)amino]benzamide;hydrochloride?
The canonical SMILES for N-(2-aminoethyl)-2-[(2,2-dimethylcyclopropanecarbonyl)amino]benzamide;hydrochloride is CC1(C)CC1C(=O)Nc1ccccc1C(=O)NCCN.Cl.
What is the InChIKey of N-(2-aminoethyl)-2-[(2,2-dimethylcyclopropanecarbonyl)amino]benzamide;hydrochloride?
The InChIKey is ZXHSZGYNKCVJHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O2.ClH/c1-15(2)9-11(15)14(20)18-12-6-4-3-5-10(12)13(19)17-8-7-16;/h3-6,11H,7-9,16H2,1-2H3,(H,17,19)(H,18,20);1H.
What are the key properties of N-(2-aminoethyl)-2-[(2,2-dimethylcyclopropanecarbonyl)amino]benzamide;hydrochloride?
N-(2-aminoethyl)-2-[(2,2-dimethylcyclopropanecarbonyl)amino]benzamide;hydrochloride has a molecular weight of 311.81 g/mol, XLogP of 1.78, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-2-[(2,2-dimethylcyclopropanecarbonyl)amino]benzamide;hydrochloride is sourced from PubChem (CID 120603623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).