N-(1-aminohexan-2-yl)-3-(cyclopropylcarbamoylamino)benzamide;hydrochloride

C17H27ClN4O2 — CID 119668693

IUPACN-(1-aminohexan-2-yl)-3-(cyclopropylcarbamoylamino)benzamide;hydrochloride
SMILESCCCCC(CN)NC(=O)c1cccc(NC(=O)NC2CC2)c1.Cl
InChIInChI=1S/C17H26N4O2.ClH/c1-2-3-6-15(11-18)19-16(22)12-5-4-7-14(10-12)21-17(23)20-13-8-9-13;/h4-5,7,10,13,15H,2-3,6,8-9,11,18H2,1H3,(H,19,22)(H2,20,21,23);1H
InChIKeyXWYHMDLZMMNJRZ-UHFFFAOYSA-N
MW354.88 g/mol
LogP2.64
Rot. Bonds8

About N-(1-aminohexan-2-yl)-3-(cyclopropylcarbamoylamino)benzamide;hydrochloride

N-(1-aminohexan-2-yl)-3-(cyclopropylcarbamoylamino)benzamide;hydrochloride (PubChem CID 119668693) has the molecular formula C17H27ClN4O2 and a molecular weight of 354.88 g/mol. Its IUPAC name is N-(1-aminohexan-2-yl)-3-(cyclopropylcarbamoylamino)benzamide;hydrochloride.

Molecular Properties

Compound NameN-(1-aminohexan-2-yl)-3-(cyclopropylcarbamoylamino)benzamide;hydrochloride
PubChem CID119668693
Molecular FormulaC17H27ClN4O2
Molecular Weight354.88 g/mol
Exact Mass354.18
IUPAC NameN-(1-aminohexan-2-yl)-3-(cyclopropylcarbamoylamino)benzamide;hydrochloride
SMILESCCCCC(CN)NC(=O)c1cccc(NC(=O)NC2CC2)c1.Cl
InChIInChI=1S/C17H26N4O2.ClH/c1-2-3-6-15(11-18)19-16(22)12-5-4-7-14(10-12)21-17(23)20-13-8-9-13;/h4-5,7,10,13,15H,2-3,6,8-9,11,18H2,1H3,(H,19,22)(H2,20,21,23);1H
InChIKeyXWYHMDLZMMNJRZ-UHFFFAOYSA-N
XLogP2.64
TPSA96.25 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.88
LogP ≤ 52.64
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-amino-4-methylpentan-2-yl)-3-(cyclopropylcarbamoylamino)benzamide
CID 119588727
3-(cyclopropylcarbamoylamino)-N-pentan-3-ylbenzamide
CID 60527660
N-(1-aminohexan-2-yl)-3-[(2-methylcyclopropanecarbonyl)amino]benzamide
CID 119667522
N-(2-amino-1-cyclopropylethyl)-3-(cyclopropylcarbamoylamino)benzamide;hydrochloride
CID 119617687
3-N-(1-aminohexan-2-yl)benzene-1,3-dicarboxamide;hydrochloride
CID 119667555
3-N-(1-aminohexan-2-yl)-1-N-methylbenzene-1,3-dicarboxamide;hydrochloride
CID 119668834
N-(1-aminohexan-2-yl)-3-methylbenzamide;hydrochloride
CID 119667380
N-(1-aminohexan-2-yl)-3-chlorobenzamide;hydrochloride
CID 119667644
1-(1-aminohexan-2-yl)-3-(3-fluorophenyl)urea
CID 80696545
3-(cyclopropylcarbamoylamino)-N-(2-methylpropyl)benzamide
CID 47298640
1-(3-acetylphenyl)-3-cyclopropylurea
CID 47032116
N-(1-aminohexan-2-yl)-4-(cyclopropanecarbonylamino)benzamide;hydrochloride
CID 119668361

Frequently Asked Questions

What is the IUPAC name of N-(1-aminohexan-2-yl)-3-(cyclopropylcarbamoylamino)benzamide;hydrochloride?
The IUPAC name of N-(1-aminohexan-2-yl)-3-(cyclopropylcarbamoylamino)benzamide;hydrochloride (CID 119668693) is N-(1-aminohexan-2-yl)-3-(cyclopropylcarbamoylamino)benzamide;hydrochloride.
What is the SMILES notation for N-(1-aminohexan-2-yl)-3-(cyclopropylcarbamoylamino)benzamide;hydrochloride?
The canonical SMILES for N-(1-aminohexan-2-yl)-3-(cyclopropylcarbamoylamino)benzamide;hydrochloride is CCCCC(CN)NC(=O)c1cccc(NC(=O)NC2CC2)c1.Cl.
What is the InChIKey of N-(1-aminohexan-2-yl)-3-(cyclopropylcarbamoylamino)benzamide;hydrochloride?
The InChIKey is XWYHMDLZMMNJRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N4O2.ClH/c1-2-3-6-15(11-18)19-16(22)12-5-4-7-14(10-12)21-17(23)20-13-8-9-13;/h4-5,7,10,13,15H,2-3,6,8-9,11,18H2,1H3,(H,19,22)(H2,20,21,23);1H.
What are the key properties of N-(1-aminohexan-2-yl)-3-(cyclopropylcarbamoylamino)benzamide;hydrochloride?
N-(1-aminohexan-2-yl)-3-(cyclopropylcarbamoylamino)benzamide;hydrochloride has a molecular weight of 354.88 g/mol, XLogP of 2.64, 8 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-aminohexan-2-yl)-3-(cyclopropylcarbamoylamino)benzamide;hydrochloride is sourced from PubChem (CID 119668693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).