N-(2-amino-1-cyclopropylethyl)-3-(cyclopropylcarbamoylamino)benzamide;hydrochloride

C16H23ClN4O2 — CID 119617687

IUPACN-(2-amino-1-cyclopropylethyl)-3-(cyclopropylcarbamoylamino)benzamide;hydrochloride
SMILESCl.NCC(NC(=O)c1cccc(NC(=O)NC2CC2)c1)C1CC1
InChIInChI=1S/C16H22N4O2.ClH/c17-9-14(10-4-5-10)20-15(21)11-2-1-3-13(8-11)19-16(22)18-12-6-7-12;/h1-3,8,10,12,14H,4-7,9,17H2,(H,20,21)(H2,18,19,22);1H
InChIKeyRAGLNKCFYFXWSC-UHFFFAOYSA-N
MW338.84 g/mol
LogP1.86
Rot. Bonds6

About N-(2-amino-1-cyclopropylethyl)-3-(cyclopropylcarbamoylamino)benzamide;hydrochloride

N-(2-amino-1-cyclopropylethyl)-3-(cyclopropylcarbamoylamino)benzamide;hydrochloride (PubChem CID 119617687) has the molecular formula C16H23ClN4O2 and a molecular weight of 338.84 g/mol. Its IUPAC name is N-(2-amino-1-cyclopropylethyl)-3-(cyclopropylcarbamoylamino)benzamide;hydrochloride.

Molecular Properties

Compound NameN-(2-amino-1-cyclopropylethyl)-3-(cyclopropylcarbamoylamino)benzamide;hydrochloride
PubChem CID119617687
Molecular FormulaC16H23ClN4O2
Molecular Weight338.84 g/mol
Exact Mass338.15
IUPAC NameN-(2-amino-1-cyclopropylethyl)-3-(cyclopropylcarbamoylamino)benzamide;hydrochloride
SMILESCl.NCC(NC(=O)c1cccc(NC(=O)NC2CC2)c1)C1CC1
InChIInChI=1S/C16H22N4O2.ClH/c17-9-14(10-4-5-10)20-15(21)11-2-1-3-13(8-11)19-16(22)18-12-6-7-12;/h1-3,8,10,12,14H,4-7,9,17H2,(H,20,21)(H2,18,19,22);1H
InChIKeyRAGLNKCFYFXWSC-UHFFFAOYSA-N
XLogP1.86
TPSA96.25 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.84
LogP ≤ 51.86
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 119588727
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CID 119668693
3-(cyclopropylcarbamoylamino)-N-pentan-3-ylbenzamide
CID 60527660
N-(2-amino-1-cyclopropylethyl)-3-[(2-methylcyclopropanecarbonyl)amino]benzamide
CID 119616196
N-[3-[(2-amino-1-cyclohexylethyl)carbamoyl]phenyl]thiophene-2-carboxamide;hydrochloride
CID 119591586
3-(cyclopropylcarbamoylamino)-N-(2-methylpropyl)benzamide
CID 47298640
3-[(2-amino-1-cyclohexylethyl)carbamoyl]benzoic acid
CID 122153095
1-(3-acetylphenyl)-3-cyclopropylurea
CID 47032116
N-(2-amino-1-cyclopropylethyl)-3-pyridin-4-yloxybenzamide;dihydrochloride
CID 86813863
N-(2-amino-1-cyclopropylethyl)-3-phenoxybenzamide
CID 86813866
N-(2-amino-1-cyclopropylethyl)naphthalene-2-carboxamide
CID 65189109
N-(2-amino-1-cyclohexylethyl)-3-methoxybenzamide;hydrochloride
CID 119591989

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-1-cyclopropylethyl)-3-(cyclopropylcarbamoylamino)benzamide;hydrochloride?
The IUPAC name of N-(2-amino-1-cyclopropylethyl)-3-(cyclopropylcarbamoylamino)benzamide;hydrochloride (CID 119617687) is N-(2-amino-1-cyclopropylethyl)-3-(cyclopropylcarbamoylamino)benzamide;hydrochloride.
What is the SMILES notation for N-(2-amino-1-cyclopropylethyl)-3-(cyclopropylcarbamoylamino)benzamide;hydrochloride?
The canonical SMILES for N-(2-amino-1-cyclopropylethyl)-3-(cyclopropylcarbamoylamino)benzamide;hydrochloride is Cl.NCC(NC(=O)c1cccc(NC(=O)NC2CC2)c1)C1CC1.
What is the InChIKey of N-(2-amino-1-cyclopropylethyl)-3-(cyclopropylcarbamoylamino)benzamide;hydrochloride?
The InChIKey is RAGLNKCFYFXWSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O2.ClH/c17-9-14(10-4-5-10)20-15(21)11-2-1-3-13(8-11)19-16(22)18-12-6-7-12;/h1-3,8,10,12,14H,4-7,9,17H2,(H,20,21)(H2,18,19,22);1H.
What are the key properties of N-(2-amino-1-cyclopropylethyl)-3-(cyclopropylcarbamoylamino)benzamide;hydrochloride?
N-(2-amino-1-cyclopropylethyl)-3-(cyclopropylcarbamoylamino)benzamide;hydrochloride has a molecular weight of 338.84 g/mol, XLogP of 1.86, 6 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-1-cyclopropylethyl)-3-(cyclopropylcarbamoylamino)benzamide;hydrochloride is sourced from PubChem (CID 119617687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).