N-(2-aminoethyl)-2-[[2-(4-propan-2-ylphenyl)cyclopropanecarbonyl]amino]benzamide;hydrochloride

C22H28ClN3O2 — CID 120603943

IUPACN-(2-aminoethyl)-2-[[2-(4-propan-2-ylphenyl)cyclopropanecarbonyl]amino]benzamide;hydrochloride
SMILESCC(C)c1ccc(C2CC2C(=O)Nc2ccccc2C(=O)NCCN)cc1.Cl
InChIInChI=1S/C22H27N3O2.ClH/c1-14(2)15-7-9-16(10-8-15)18-13-19(18)22(27)25-20-6-4-3-5-17(20)21(26)24-12-11-23;/h3-10,14,18-19H,11-13,23H2,1-2H3,(H,24,26)(H,25,27);1H
InChIKeySVVQPNCVZGDAOF-UHFFFAOYSA-N
MW401.94 g/mol
LogP3.66
Rot. Bonds7

About N-(2-aminoethyl)-2-[[2-(4-propan-2-ylphenyl)cyclopropanecarbonyl]amino]benzamide;hydrochloride

N-(2-aminoethyl)-2-[[2-(4-propan-2-ylphenyl)cyclopropanecarbonyl]amino]benzamide;hydrochloride (PubChem CID 120603943) has the molecular formula C22H28ClN3O2 and a molecular weight of 401.94 g/mol. Its IUPAC name is N-(2-aminoethyl)-2-[[2-(4-propan-2-ylphenyl)cyclopropanecarbonyl]amino]benzamide;hydrochloride.

Molecular Properties

Compound NameN-(2-aminoethyl)-2-[[2-(4-propan-2-ylphenyl)cyclopropanecarbonyl]amino]benzamide;hydrochloride
PubChem CID120603943
Molecular FormulaC22H28ClN3O2
Molecular Weight401.94 g/mol
Exact Mass401.19
IUPAC NameN-(2-aminoethyl)-2-[[2-(4-propan-2-ylphenyl)cyclopropanecarbonyl]amino]benzamide;hydrochloride
SMILESCC(C)c1ccc(C2CC2C(=O)Nc2ccccc2C(=O)NCCN)cc1.Cl
InChIInChI=1S/C22H27N3O2.ClH/c1-14(2)15-7-9-16(10-8-15)18-13-19(18)22(27)25-20-6-4-3-5-17(20)21(26)24-12-11-23;/h3-10,14,18-19H,11-13,23H2,1-2H3,(H,24,26)(H,25,27);1H
InChIKeySVVQPNCVZGDAOF-UHFFFAOYSA-N
XLogP3.66
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.94
LogP ≤ 53.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-aminoethyl)-2-[[2-(3,4-dichlorophenyl)cyclopropanecarbonyl]amino]benzamide;hydrochloride
CID 120604140
N-(2-aminoethyl)-2-[[2-(3,4-difluorophenyl)cyclopropanecarbonyl]amino]benzamide;hydrochloride
CID 120603955
N-(2-aminoethyl)-2-[[2-(2-methylphenyl)cyclopropanecarbonyl]amino]benzamide
CID 120603302
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-dimethylcyclopropanecarbonyl)amino]benzamide;hydrochloride
CID 120603623
N-(3-aminobutyl)-2-(4-propan-2-ylphenyl)cyclopropane-1-carboxamide
CID 119495241
N-methyl-2-[(2-phenylcyclopropanecarbonyl)amino]benzamide
CID 110606701
N-(2-aminoethyl)-2-(cyclohexanecarbonylamino)benzamide;hydrochloride
CID 120604417
2-[(2-methylcyclopropanecarbonyl)amino]-N-propylbenzamide
CID 47097713
N-(2-aminoethyl)-2-[[2-[methyl(propan-2-yl)amino]acetyl]amino]benzamide;dihydrochloride
CID 120603824
N-[2-(methylamino)ethyl]-2-(4-propan-2-ylphenyl)cyclopropane-1-carboxamide
CID 119500317

Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-2-[[2-(4-propan-2-ylphenyl)cyclopropanecarbonyl]amino]benzamide;hydrochloride?
The IUPAC name of N-(2-aminoethyl)-2-[[2-(4-propan-2-ylphenyl)cyclopropanecarbonyl]amino]benzamide;hydrochloride (CID 120603943) is N-(2-aminoethyl)-2-[[2-(4-propan-2-ylphenyl)cyclopropanecarbonyl]amino]benzamide;hydrochloride.
What is the SMILES notation for N-(2-aminoethyl)-2-[[2-(4-propan-2-ylphenyl)cyclopropanecarbonyl]amino]benzamide;hydrochloride?
The canonical SMILES for N-(2-aminoethyl)-2-[[2-(4-propan-2-ylphenyl)cyclopropanecarbonyl]amino]benzamide;hydrochloride is CC(C)c1ccc(C2CC2C(=O)Nc2ccccc2C(=O)NCCN)cc1.Cl.
What is the InChIKey of N-(2-aminoethyl)-2-[[2-(4-propan-2-ylphenyl)cyclopropanecarbonyl]amino]benzamide;hydrochloride?
The InChIKey is SVVQPNCVZGDAOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3O2.ClH/c1-14(2)15-7-9-16(10-8-15)18-13-19(18)22(27)25-20-6-4-3-5-17(20)21(26)24-12-11-23;/h3-10,14,18-19H,11-13,23H2,1-2H3,(H,24,26)(H,25,27);1H.
What are the key properties of N-(2-aminoethyl)-2-[[2-(4-propan-2-ylphenyl)cyclopropanecarbonyl]amino]benzamide;hydrochloride?
N-(2-aminoethyl)-2-[[2-(4-propan-2-ylphenyl)cyclopropanecarbonyl]amino]benzamide;hydrochloride has a molecular weight of 401.94 g/mol, XLogP of 3.66, 7 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-(4-propan-2-ylphenyl)cyclopropanecarbonyl]amino]benzamide;hydrochloride is sourced from PubChem (CID 120603943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).