N-cyclohexyl-4-[4-(methylamino)butanoylamino]benzamide;hydrochloride

C18H28ClN3O2 — CID 119747154

IUPACN-cyclohexyl-4-[4-(methylamino)butanoylamino]benzamide;hydrochloride
SMILESCNCCCC(=O)Nc1ccc(C(=O)NC2CCCCC2)cc1.Cl
InChIInChI=1S/C18H27N3O2.ClH/c1-19-13-5-8-17(22)20-16-11-9-14(10-12-16)18(23)21-15-6-3-2-4-7-15;/h9-12,15,19H,2-8,13H2,1H3,(H,20,22)(H,21,23);1H
InChIKeyGDRAJFDHDPKDDW-UHFFFAOYSA-N
MW353.89 g/mol
LogP3.11
Rot. Bonds7

About N-cyclohexyl-4-[4-(methylamino)butanoylamino]benzamide;hydrochloride

N-cyclohexyl-4-[4-(methylamino)butanoylamino]benzamide;hydrochloride (PubChem CID 119747154) has the molecular formula C18H28ClN3O2 and a molecular weight of 353.89 g/mol. Its IUPAC name is N-cyclohexyl-4-[4-(methylamino)butanoylamino]benzamide;hydrochloride.

Molecular Properties

Compound NameN-cyclohexyl-4-[4-(methylamino)butanoylamino]benzamide;hydrochloride
PubChem CID119747154
Molecular FormulaC18H28ClN3O2
Molecular Weight353.89 g/mol
Exact Mass353.19
IUPAC NameN-cyclohexyl-4-[4-(methylamino)butanoylamino]benzamide;hydrochloride
SMILESCNCCCC(=O)Nc1ccc(C(=O)NC2CCCCC2)cc1.Cl
InChIInChI=1S/C18H27N3O2.ClH/c1-19-13-5-8-17(22)20-16-11-9-14(10-12-16)18(23)21-15-6-3-2-4-7-15;/h9-12,15,19H,2-8,13H2,1H3,(H,20,22)(H,21,23);1H
InChIKeyGDRAJFDHDPKDDW-UHFFFAOYSA-N
XLogP3.11
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.89
LogP ≤ 53.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N,N'-bis[4-(cyclohexylcarbamoyl)phenyl]hexanediamide
CID 43878588
N-cyclohexyl-3-methyl-4-[4-(methylamino)butanoylamino]benzamide;hydrochloride
CID 119711987
N-cyclohexyl-4-(propanoylamino)benzamide
CID 977209
2-chloro-N-cyclohexyl-5-[4-(methylamino)butanoylamino]benzamide
CID 119743114
4-(4-chlorobutanoylamino)-N-cyclopropylbenzamide
CID 63309347
4-[(2-chloroacetyl)amino]-N-cyclopentylbenzamide
CID 16640624
4-acetamido-N-cyclooctylbenzamide
CID 2990044
4-[[2-(cyclohexylamino)acetyl]amino]-N-cyclopropylbenzamide
CID 1442013
N-cycloheptyl-4-(methylamino)benzamide
CID 62165627
N-cyclohexyl-4-[[2-(diethylamino)acetyl]amino]benzamide
CID 54813756
N-cyclohexyl-4-[[2-(4-methoxyphenoxy)acetyl]amino]benzamide
CID 28587702
N-(4-acetylphenyl)-4-(methylamino)butanamide
CID 61258439

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-4-[4-(methylamino)butanoylamino]benzamide;hydrochloride?
The IUPAC name of N-cyclohexyl-4-[4-(methylamino)butanoylamino]benzamide;hydrochloride (CID 119747154) is N-cyclohexyl-4-[4-(methylamino)butanoylamino]benzamide;hydrochloride.
What is the SMILES notation for N-cyclohexyl-4-[4-(methylamino)butanoylamino]benzamide;hydrochloride?
The canonical SMILES for N-cyclohexyl-4-[4-(methylamino)butanoylamino]benzamide;hydrochloride is CNCCCC(=O)Nc1ccc(C(=O)NC2CCCCC2)cc1.Cl.
What is the InChIKey of N-cyclohexyl-4-[4-(methylamino)butanoylamino]benzamide;hydrochloride?
The InChIKey is GDRAJFDHDPKDDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O2.ClH/c1-19-13-5-8-17(22)20-16-11-9-14(10-12-16)18(23)21-15-6-3-2-4-7-15;/h9-12,15,19H,2-8,13H2,1H3,(H,20,22)(H,21,23);1H.
What are the key properties of N-cyclohexyl-4-[4-(methylamino)butanoylamino]benzamide;hydrochloride?
N-cyclohexyl-4-[4-(methylamino)butanoylamino]benzamide;hydrochloride has a molecular weight of 353.89 g/mol, XLogP of 3.11, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-4-[4-(methylamino)butanoylamino]benzamide;hydrochloride is sourced from PubChem (CID 119747154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).