N-[2-(aminomethyl)cyclohexyl]-3,4,5-trimethoxybenzamide;hydrochloride

C17H27ClN2O4 — CID 119610035

IUPACN-[2-(aminomethyl)cyclohexyl]-3,4,5-trimethoxybenzamide;hydrochloride
SMILESCOc1cc(C(=O)NC2CCCCC2CN)cc(OC)c1OC.Cl
InChIInChI=1S/C17H26N2O4.ClH/c1-21-14-8-12(9-15(22-2)16(14)23-3)17(20)19-13-7-5-4-6-11(13)10-18;/h8-9,11,13H,4-7,10,18H2,1-3H3,(H,19,20);1H
InChIKeyKIOQWKMYNMHPLR-UHFFFAOYSA-N
MW358.87 g/mol
LogP2.38
Rot. Bonds6

About N-[2-(aminomethyl)cyclohexyl]-3,4,5-trimethoxybenzamide;hydrochloride

N-[2-(aminomethyl)cyclohexyl]-3,4,5-trimethoxybenzamide;hydrochloride (PubChem CID 119610035) has the molecular formula C17H27ClN2O4 and a molecular weight of 358.87 g/mol. Its IUPAC name is N-[2-(aminomethyl)cyclohexyl]-3,4,5-trimethoxybenzamide;hydrochloride.

Molecular Properties

Compound NameN-[2-(aminomethyl)cyclohexyl]-3,4,5-trimethoxybenzamide;hydrochloride
PubChem CID119610035
Molecular FormulaC17H27ClN2O4
Molecular Weight358.87 g/mol
Exact Mass358.17
IUPAC NameN-[2-(aminomethyl)cyclohexyl]-3,4,5-trimethoxybenzamide;hydrochloride
SMILESCOc1cc(C(=O)NC2CCCCC2CN)cc(OC)c1OC.Cl
InChIInChI=1S/C17H26N2O4.ClH/c1-21-14-8-12(9-15(22-2)16(14)23-3)17(20)19-13-7-5-4-6-11(13)10-18;/h8-9,11,13H,4-7,10,18H2,1-3H3,(H,19,20);1H
InChIKeyKIOQWKMYNMHPLR-UHFFFAOYSA-N
XLogP2.38
TPSA82.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.87
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(aminomethyl)cyclohexyl]-4-(2-amino-2-oxoethoxy)-3,5-dimethoxybenzamide
CID 119609355
N-[2-(aminomethyl)cyclopentyl]-4-bromo-3,5-dimethoxybenzamide
CID 119600547
N-[2-(aminomethyl)cyclopentyl]-3,4-dimethoxybenzamide;hydrochloride
CID 119602992
N-[2-(aminomethyl)cyclopentyl]-4-(difluoromethoxy)-3,5-dimethoxybenzamide
CID 119605365
N-[2-(aminomethyl)cyclopentyl]-3-bromo-4-ethoxy-5-methoxybenzamide
CID 119600537
N-[2-(aminomethyl)cyclohexyl]-3,4,5-triethoxybenzamide
CID 119610034
N-[2-(aminomethyl)cyclopentyl]-4-(2-amino-2-oxoethoxy)-3-methoxybenzamide;hydrochloride
CID 119601304
N-[2-(aminomethyl)cyclopentyl]-5-methoxy-2,3-dihydro-1,4-benzodioxine-7-carboxamide
CID 119604984
N-[2-(aminomethyl)cyclopentyl]-3-hydroxy-4-methoxybenzamide
CID 79725712
N-[2-(aminomethyl)cyclohexyl]-2,5-dimethoxybenzamide;hydrochloride
CID 119610574
N-cyclooctyl-3,4,5-trimethoxybenzamide
CID 679003
N-[2-(aminomethyl)cyclohexyl]-3,4,5-trifluorobenzamide;hydrochloride
CID 119612395

Frequently Asked Questions

What is the IUPAC name of N-[2-(aminomethyl)cyclohexyl]-3,4,5-trimethoxybenzamide;hydrochloride?
The IUPAC name of N-[2-(aminomethyl)cyclohexyl]-3,4,5-trimethoxybenzamide;hydrochloride (CID 119610035) is N-[2-(aminomethyl)cyclohexyl]-3,4,5-trimethoxybenzamide;hydrochloride.
What is the SMILES notation for N-[2-(aminomethyl)cyclohexyl]-3,4,5-trimethoxybenzamide;hydrochloride?
The canonical SMILES for N-[2-(aminomethyl)cyclohexyl]-3,4,5-trimethoxybenzamide;hydrochloride is COc1cc(C(=O)NC2CCCCC2CN)cc(OC)c1OC.Cl.
What is the InChIKey of N-[2-(aminomethyl)cyclohexyl]-3,4,5-trimethoxybenzamide;hydrochloride?
The InChIKey is KIOQWKMYNMHPLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O4.ClH/c1-21-14-8-12(9-15(22-2)16(14)23-3)17(20)19-13-7-5-4-6-11(13)10-18;/h8-9,11,13H,4-7,10,18H2,1-3H3,(H,19,20);1H.
What are the key properties of N-[2-(aminomethyl)cyclohexyl]-3,4,5-trimethoxybenzamide;hydrochloride?
N-[2-(aminomethyl)cyclohexyl]-3,4,5-trimethoxybenzamide;hydrochloride has a molecular weight of 358.87 g/mol, XLogP of 2.38, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(aminomethyl)cyclohexyl]-3,4,5-trimethoxybenzamide;hydrochloride is sourced from PubChem (CID 119610035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).