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

C15H22ClN3O3 — CID 120604335

IUPACN-(2-aminoethyl)-2-[(2-ethoxycyclopropanecarbonyl)amino]benzamide;hydrochloride
SMILESCCOC1CC1C(=O)Nc1ccccc1C(=O)NCCN.Cl
InChIInChI=1S/C15H21N3O3.ClH/c1-2-21-13-9-11(13)15(20)18-12-6-4-3-5-10(12)14(19)17-8-7-16;/h3-6,11,13H,2,7-9,16H2,1H3,(H,17,19)(H,18,20);1H
InChIKeyIOOHHISBHPVHBJ-UHFFFAOYSA-N
MW327.81 g/mol
LogP1.16
Rot. Bonds7

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

N-(2-aminoethyl)-2-[(2-ethoxycyclopropanecarbonyl)amino]benzamide;hydrochloride (PubChem CID 120604335) has the molecular formula C15H22ClN3O3 and a molecular weight of 327.81 g/mol. Its IUPAC name is N-(2-aminoethyl)-2-[(2-ethoxycyclopropanecarbonyl)amino]benzamide;hydrochloride.

Molecular Properties

Compound NameN-(2-aminoethyl)-2-[(2-ethoxycyclopropanecarbonyl)amino]benzamide;hydrochloride
PubChem CID120604335
Molecular FormulaC15H22ClN3O3
Molecular Weight327.81 g/mol
Exact Mass327.13
IUPAC NameN-(2-aminoethyl)-2-[(2-ethoxycyclopropanecarbonyl)amino]benzamide;hydrochloride
SMILESCCOC1CC1C(=O)Nc1ccccc1C(=O)NCCN.Cl
InChIInChI=1S/C15H21N3O3.ClH/c1-2-21-13-9-11(13)15(20)18-12-6-4-3-5-10(12)14(19)17-8-7-16;/h3-6,11,13H,2,7-9,16H2,1H3,(H,17,19)(H,18,20);1H
InChIKeyIOOHHISBHPVHBJ-UHFFFAOYSA-N
XLogP1.16
TPSA93.45 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.81
LogP ≤ 51.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-aminoethyl)-2-[(2-methylcyclopentanecarbonyl)amino]benzamide
CID 107181192
N-(2-aminoethyl)-2-[[2-(2-methylphenyl)cyclopropanecarbonyl]amino]benzamide
CID 120603302
N-(2-aminoethyl)-2-[(2,2-dimethylcyclopropanecarbonyl)amino]benzamide;hydrochloride
CID 120603623
N-(2-aminoethyl)-2-[[2-(4-propan-2-ylphenyl)cyclopropanecarbonyl]amino]benzamide;hydrochloride
CID 120603943
N-(2-aminoethyl)-2-(cyclohexanecarbonylamino)benzamide;hydrochloride
CID 120604417
2-[(2-methylcyclopropanecarbonyl)amino]-N-propylbenzamide
CID 47097713
N-(2-aminoethyl)-2-[[2-(3,4-difluorophenyl)cyclopropanecarbonyl]amino]benzamide;hydrochloride
CID 120603955
N-(2-aminoethyl)-2-[[2-(3,4-dichlorophenyl)cyclopropanecarbonyl]amino]benzamide;hydrochloride
CID 120604140
N-[2-(2-aminoethylcarbamoyl)phenyl]-1,4-dioxane-2-carboxamide;hydrochloride
CID 120603354
N-[2-(2-aminoethylcarbamoyl)phenyl]-1-(2-methoxyethyl)-5-oxopyrrolidine-3-carboxamide;hydrochloride
CID 120604485
N-(2-aminoethyl)-2-(dimethylcarbamoylamino)benzamide
CID 107000060
N-(2-aminoethyl)-2-(4-ethoxybutanoylamino)benzamide
CID 107000016

Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-2-[(2-ethoxycyclopropanecarbonyl)amino]benzamide;hydrochloride?
The IUPAC name of N-(2-aminoethyl)-2-[(2-ethoxycyclopropanecarbonyl)amino]benzamide;hydrochloride (CID 120604335) is N-(2-aminoethyl)-2-[(2-ethoxycyclopropanecarbonyl)amino]benzamide;hydrochloride.
What is the SMILES notation for N-(2-aminoethyl)-2-[(2-ethoxycyclopropanecarbonyl)amino]benzamide;hydrochloride?
The canonical SMILES for N-(2-aminoethyl)-2-[(2-ethoxycyclopropanecarbonyl)amino]benzamide;hydrochloride is CCOC1CC1C(=O)Nc1ccccc1C(=O)NCCN.Cl.
What is the InChIKey of N-(2-aminoethyl)-2-[(2-ethoxycyclopropanecarbonyl)amino]benzamide;hydrochloride?
The InChIKey is IOOHHISBHPVHBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O3.ClH/c1-2-21-13-9-11(13)15(20)18-12-6-4-3-5-10(12)14(19)17-8-7-16;/h3-6,11,13H,2,7-9,16H2,1H3,(H,17,19)(H,18,20);1H.
What are the key properties of N-(2-aminoethyl)-2-[(2-ethoxycyclopropanecarbonyl)amino]benzamide;hydrochloride?
N-(2-aminoethyl)-2-[(2-ethoxycyclopropanecarbonyl)amino]benzamide;hydrochloride has a molecular weight of 327.81 g/mol, XLogP of 1.16, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-2-[(2-ethoxycyclopropanecarbonyl)amino]benzamide;hydrochloride is sourced from PubChem (CID 120604335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).