N-(1-aminohexan-2-yl)-4-(cyclopropanecarbonylamino)benzamide;hydrochloride

C17H26ClN3O2 — CID 119668361

IUPACN-(1-aminohexan-2-yl)-4-(cyclopropanecarbonylamino)benzamide;hydrochloride
SMILESCCCCC(CN)NC(=O)c1ccc(NC(=O)C2CC2)cc1.Cl
InChIInChI=1S/C17H25N3O2.ClH/c1-2-3-4-15(11-18)20-17(22)13-7-9-14(10-8-13)19-16(21)12-5-6-12;/h7-10,12,15H,2-6,11,18H2,1H3,(H,19,21)(H,20,22);1H
InChIKeyIZPQBUODPVAEDS-UHFFFAOYSA-N
MW339.87 g/mol
LogP2.70
Rot. Bonds8

About N-(1-aminohexan-2-yl)-4-(cyclopropanecarbonylamino)benzamide;hydrochloride

N-(1-aminohexan-2-yl)-4-(cyclopropanecarbonylamino)benzamide;hydrochloride (PubChem CID 119668361) has the molecular formula C17H26ClN3O2 and a molecular weight of 339.87 g/mol. Its IUPAC name is N-(1-aminohexan-2-yl)-4-(cyclopropanecarbonylamino)benzamide;hydrochloride.

Molecular Properties

Compound NameN-(1-aminohexan-2-yl)-4-(cyclopropanecarbonylamino)benzamide;hydrochloride
PubChem CID119668361
Molecular FormulaC17H26ClN3O2
Molecular Weight339.87 g/mol
Exact Mass339.17
IUPAC NameN-(1-aminohexan-2-yl)-4-(cyclopropanecarbonylamino)benzamide;hydrochloride
SMILESCCCCC(CN)NC(=O)c1ccc(NC(=O)C2CC2)cc1.Cl
InChIInChI=1S/C17H25N3O2.ClH/c1-2-3-4-15(11-18)20-17(22)13-7-9-14(10-8-13)19-16(21)12-5-6-12;/h7-10,12,15H,2-6,11,18H2,1H3,(H,19,21)(H,20,22);1H
InChIKeyIZPQBUODPVAEDS-UHFFFAOYSA-N
XLogP2.70
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.87
LogP ≤ 52.70
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-[4-(heptan-3-ylamino)phenyl]cyclopropanecarboxamide
CID 63946276
1-N,4-N-bis[4-(butan-2-ylcarbamoyl)phenyl]cyclohexane-1,4-dicarboxamide
CID 17201637
N-(2-amino-1-cyclohexylethyl)-4-(cyclopropanecarbonylamino)benzamide;hydrochloride
CID 119591804
N-(1-aminohexan-2-yl)cyclohexanecarboxamide
CID 80697500
N-(1-aminohexan-2-yl)-3-[(2-methylcyclopropanecarbonyl)amino]benzamide
CID 119667522
N-(1-aminohexan-2-yl)-4-(difluoromethylsulfanyl)benzamide;hydrochloride
CID 119666969
N-(1-aminohexan-2-yl)-3-(cyclopropylcarbamoylamino)benzamide;hydrochloride
CID 119668693
N-(1-aminohexan-2-yl)-4-[cyclohexyl(methyl)sulfamoyl]benzamide;hydrochloride
CID 119667060
2-butoxyethyl 4-(cyclopropanecarbonylamino)benzoate
CID 52709382
N-(1-aminohexan-2-yl)-4-[(carbamoylamino)methyl]benzamide
CID 119665299
N-(1-aminohexan-2-yl)-1,3-benzodioxole-5-carboxamide;hydrochloride
CID 119667368

Frequently Asked Questions

What is the IUPAC name of N-(1-aminohexan-2-yl)-4-(cyclopropanecarbonylamino)benzamide;hydrochloride?
The IUPAC name of N-(1-aminohexan-2-yl)-4-(cyclopropanecarbonylamino)benzamide;hydrochloride (CID 119668361) is N-(1-aminohexan-2-yl)-4-(cyclopropanecarbonylamino)benzamide;hydrochloride.
What is the SMILES notation for N-(1-aminohexan-2-yl)-4-(cyclopropanecarbonylamino)benzamide;hydrochloride?
The canonical SMILES for N-(1-aminohexan-2-yl)-4-(cyclopropanecarbonylamino)benzamide;hydrochloride is CCCCC(CN)NC(=O)c1ccc(NC(=O)C2CC2)cc1.Cl.
What is the InChIKey of N-(1-aminohexan-2-yl)-4-(cyclopropanecarbonylamino)benzamide;hydrochloride?
The InChIKey is IZPQBUODPVAEDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O2.ClH/c1-2-3-4-15(11-18)20-17(22)13-7-9-14(10-8-13)19-16(21)12-5-6-12;/h7-10,12,15H,2-6,11,18H2,1H3,(H,19,21)(H,20,22);1H.
What are the key properties of N-(1-aminohexan-2-yl)-4-(cyclopropanecarbonylamino)benzamide;hydrochloride?
N-(1-aminohexan-2-yl)-4-(cyclopropanecarbonylamino)benzamide;hydrochloride has a molecular weight of 339.87 g/mol, XLogP of 2.70, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-aminohexan-2-yl)-4-(cyclopropanecarbonylamino)benzamide;hydrochloride is sourced from PubChem (CID 119668361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).