N-[2-(aminomethyl)cyclohexyl]-3-cyclopentyloxybenzamide;hydrochloride

C19H29ClN2O2 — CID 119611218

IUPACN-[2-(aminomethyl)cyclohexyl]-3-cyclopentyloxybenzamide;hydrochloride
SMILESCl.NCC1CCCCC1NC(=O)c1cccc(OC2CCCC2)c1
InChIInChI=1S/C19H28N2O2.ClH/c20-13-15-6-1-4-11-18(15)21-19(22)14-7-5-10-17(12-14)23-16-8-2-3-9-16;/h5,7,10,12,15-16,18H,1-4,6,8-9,11,13,20H2,(H,21,22);1H
InChIKeyPSLAUNRTKNEMOR-UHFFFAOYSA-N
MW352.91 g/mol
LogP3.68
Rot. Bonds5

About N-[2-(aminomethyl)cyclohexyl]-3-cyclopentyloxybenzamide;hydrochloride

N-[2-(aminomethyl)cyclohexyl]-3-cyclopentyloxybenzamide;hydrochloride (PubChem CID 119611218) has the molecular formula C19H29ClN2O2 and a molecular weight of 352.91 g/mol. Its IUPAC name is N-[2-(aminomethyl)cyclohexyl]-3-cyclopentyloxybenzamide;hydrochloride.

Molecular Properties

Compound NameN-[2-(aminomethyl)cyclohexyl]-3-cyclopentyloxybenzamide;hydrochloride
PubChem CID119611218
Molecular FormulaC19H29ClN2O2
Molecular Weight352.91 g/mol
Exact Mass352.19
IUPAC NameN-[2-(aminomethyl)cyclohexyl]-3-cyclopentyloxybenzamide;hydrochloride
SMILESCl.NCC1CCCCC1NC(=O)c1cccc(OC2CCCC2)c1
InChIInChI=1S/C19H28N2O2.ClH/c20-13-15-6-1-4-11-18(15)21-19(22)14-7-5-10-17(12-14)23-16-8-2-3-9-16;/h5,7,10,12,15-16,18H,1-4,6,8-9,11,13,20H2,(H,21,22);1H
InChIKeyPSLAUNRTKNEMOR-UHFFFAOYSA-N
XLogP3.68
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.91
LogP ≤ 53.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(aminomethyl)cyclohexyl]-3-(2-methoxyethoxy)benzamide
CID 119609171
N-[(1S,2R)-2-(aminomethyl)cyclopentyl]benzamide
CID 94903786
N-[2-(aminomethyl)cyclopentyl]-3-(carbamoylamino)benzamide
CID 119601722
3-cyclopentyloxybenzamide
CID 71932153
N-[2-(aminomethyl)cyclopentyl]-3-(methylsulfinylmethyl)benzamide;hydrochloride
CID 119601240
N-[2-(aminomethyl)cyclohexyl]-3-(cyclopropylmethylsulfamoyl)benzamide;hydrochloride
CID 119611856
N-[2-(aminomethyl)cyclopentyl]-3,4-dimethoxybenzamide;hydrochloride
CID 119602992
N-[2-(aminomethyl)cyclohexyl]-3-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzamide
CID 119611426
N-[2-(aminomethyl)cyclopentyl]-3-(cyclopentylsulfamoyl)benzamide
CID 119600674
N-[2-(aminomethyl)cyclohexyl]-3-(diethylsulfamoyl)benzamide;hydrochloride
CID 119610921
N-[2-(aminomethyl)cyclopentyl]-3-(imidazo[1,2-a]pyridin-2-ylmethoxy)benzamide
CID 119603057
3-cyclopentyloxy-N-(1,3-dihydroxy-2-methylpropan-2-yl)benzamide
CID 122141053

Frequently Asked Questions

What is the IUPAC name of N-[2-(aminomethyl)cyclohexyl]-3-cyclopentyloxybenzamide;hydrochloride?
The IUPAC name of N-[2-(aminomethyl)cyclohexyl]-3-cyclopentyloxybenzamide;hydrochloride (CID 119611218) is N-[2-(aminomethyl)cyclohexyl]-3-cyclopentyloxybenzamide;hydrochloride.
What is the SMILES notation for N-[2-(aminomethyl)cyclohexyl]-3-cyclopentyloxybenzamide;hydrochloride?
The canonical SMILES for N-[2-(aminomethyl)cyclohexyl]-3-cyclopentyloxybenzamide;hydrochloride is Cl.NCC1CCCCC1NC(=O)c1cccc(OC2CCCC2)c1.
What is the InChIKey of N-[2-(aminomethyl)cyclohexyl]-3-cyclopentyloxybenzamide;hydrochloride?
The InChIKey is PSLAUNRTKNEMOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2O2.ClH/c20-13-15-6-1-4-11-18(15)21-19(22)14-7-5-10-17(12-14)23-16-8-2-3-9-16;/h5,7,10,12,15-16,18H,1-4,6,8-9,11,13,20H2,(H,21,22);1H.
What are the key properties of N-[2-(aminomethyl)cyclohexyl]-3-cyclopentyloxybenzamide;hydrochloride?
N-[2-(aminomethyl)cyclohexyl]-3-cyclopentyloxybenzamide;hydrochloride has a molecular weight of 352.91 g/mol, XLogP of 3.68, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(aminomethyl)cyclohexyl]-3-cyclopentyloxybenzamide;hydrochloride is sourced from PubChem (CID 119611218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).