N-(2-amino-1-cyclohexylethyl)-4-(cyclopropanecarbonylamino)benzamide;hydrochloride

C19H28ClN3O2 — CID 119591804

IUPACN-(2-amino-1-cyclohexylethyl)-4-(cyclopropanecarbonylamino)benzamide;hydrochloride
SMILESCl.NCC(NC(=O)c1ccc(NC(=O)C2CC2)cc1)C1CCCCC1
InChIInChI=1S/C19H27N3O2.ClH/c20-12-17(13-4-2-1-3-5-13)22-19(24)15-8-10-16(11-9-15)21-18(23)14-6-7-14;/h8-11,13-14,17H,1-7,12,20H2,(H,21,23)(H,22,24);1H
InChIKeySBMJDDFSZZPWFA-UHFFFAOYSA-N
MW365.91 g/mol
LogP3.09
Rot. Bonds6

About N-(2-amino-1-cyclohexylethyl)-4-(cyclopropanecarbonylamino)benzamide;hydrochloride

N-(2-amino-1-cyclohexylethyl)-4-(cyclopropanecarbonylamino)benzamide;hydrochloride (PubChem CID 119591804) has the molecular formula C19H28ClN3O2 and a molecular weight of 365.91 g/mol. Its IUPAC name is N-(2-amino-1-cyclohexylethyl)-4-(cyclopropanecarbonylamino)benzamide;hydrochloride.

Molecular Properties

Compound NameN-(2-amino-1-cyclohexylethyl)-4-(cyclopropanecarbonylamino)benzamide;hydrochloride
PubChem CID119591804
Molecular FormulaC19H28ClN3O2
Molecular Weight365.91 g/mol
Exact Mass365.19
IUPAC NameN-(2-amino-1-cyclohexylethyl)-4-(cyclopropanecarbonylamino)benzamide;hydrochloride
SMILESCl.NCC(NC(=O)c1ccc(NC(=O)C2CC2)cc1)C1CCCCC1
InChIInChI=1S/C19H27N3O2.ClH/c20-12-17(13-4-2-1-3-5-13)22-19(24)15-8-10-16(11-9-15)21-18(23)14-6-7-14;/h8-11,13-14,17H,1-7,12,20H2,(H,21,23)(H,22,24);1H
InChIKeySBMJDDFSZZPWFA-UHFFFAOYSA-N
XLogP3.09
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.91
LogP ≤ 53.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2S)-1-aminopropan-2-yl]-4-(cyclopropanecarbonylamino)benzamide;hydrochloride
CID 120506326
N-(2-amino-1-cyclohexylethyl)-4-(1,3-dithiolan-2-yl)benzamide;hydrochloride
CID 119590390
N-(2-amino-1-cyclohexylethyl)-4-(methylsulfamoyl)benzamide;hydrochloride
CID 119589468
N-(2-amino-1-cyclopentylethyl)-4-methylsulfanylbenzamide
CID 106737308
N-(2-amino-1-cyclohexylethyl)-2,3-dihydro-1H-indene-5-carboxamide;hydrochloride
CID 119591970
N-[2-(aminomethyl)cyclohexyl]-4-(cyclopropanecarbonylamino)benzamide;hydrochloride
CID 119612158
N-(1-aminohexan-2-yl)-4-(cyclopropanecarbonylamino)benzamide;hydrochloride
CID 119668361
N-(2-amino-1-cyclohexylethyl)-4-(3-methoxypropoxy)benzamide;hydrochloride
CID 119590589
N-(2-amino-1-cyclopentylethyl)-4-(difluoromethoxy)benzamide
CID 106737206
N-(2-amino-1-cyclohexylethyl)-4-methylcyclohexane-1-carboxamide
CID 81485419
N-[4-(cyclopropanecarbonylamino)phenyl]cyclohexanecarboxamide
CID 25276011
N-(2-amino-1-cyclohexylethyl)-4-[(2,5-dioxopyrrolidin-1-yl)methyl]benzamide
CID 119590373

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-1-cyclohexylethyl)-4-(cyclopropanecarbonylamino)benzamide;hydrochloride?
The IUPAC name of N-(2-amino-1-cyclohexylethyl)-4-(cyclopropanecarbonylamino)benzamide;hydrochloride (CID 119591804) is N-(2-amino-1-cyclohexylethyl)-4-(cyclopropanecarbonylamino)benzamide;hydrochloride.
What is the SMILES notation for N-(2-amino-1-cyclohexylethyl)-4-(cyclopropanecarbonylamino)benzamide;hydrochloride?
The canonical SMILES for N-(2-amino-1-cyclohexylethyl)-4-(cyclopropanecarbonylamino)benzamide;hydrochloride is Cl.NCC(NC(=O)c1ccc(NC(=O)C2CC2)cc1)C1CCCCC1.
What is the InChIKey of N-(2-amino-1-cyclohexylethyl)-4-(cyclopropanecarbonylamino)benzamide;hydrochloride?
The InChIKey is SBMJDDFSZZPWFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3O2.ClH/c20-12-17(13-4-2-1-3-5-13)22-19(24)15-8-10-16(11-9-15)21-18(23)14-6-7-14;/h8-11,13-14,17H,1-7,12,20H2,(H,21,23)(H,22,24);1H.
What are the key properties of N-(2-amino-1-cyclohexylethyl)-4-(cyclopropanecarbonylamino)benzamide;hydrochloride?
N-(2-amino-1-cyclohexylethyl)-4-(cyclopropanecarbonylamino)benzamide;hydrochloride has a molecular weight of 365.91 g/mol, XLogP of 3.09, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-1-cyclohexylethyl)-4-(cyclopropanecarbonylamino)benzamide;hydrochloride is sourced from PubChem (CID 119591804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).