1-amino-N-[(2,3,4-trimethoxyphenyl)methyl]cyclohexane-1-carboxamide;hydrochloride

C17H27ClN2O4 — CID 119285335

IUPAC1-amino-N-[(2,3,4-trimethoxyphenyl)methyl]cyclohexane-1-carboxamide;hydrochloride
SMILESCOc1ccc(CNC(=O)C2(N)CCCCC2)c(OC)c1OC.Cl
InChIInChI=1S/C17H26N2O4.ClH/c1-21-13-8-7-12(14(22-2)15(13)23-3)11-19-16(20)17(18)9-5-4-6-10-17;/h7-8H,4-6,9-11,18H2,1-3H3,(H,19,20);1H
InChIKeyFETWRRMXDCNDLX-UHFFFAOYSA-N
MW358.87 g/mol
LogP2.41
Rot. Bonds6

About 1-amino-N-[(2,3,4-trimethoxyphenyl)methyl]cyclohexane-1-carboxamide;hydrochloride

1-amino-N-[(2,3,4-trimethoxyphenyl)methyl]cyclohexane-1-carboxamide;hydrochloride (PubChem CID 119285335) has the molecular formula C17H27ClN2O4 and a molecular weight of 358.87 g/mol. Its IUPAC name is 1-amino-N-[(2,3,4-trimethoxyphenyl)methyl]cyclohexane-1-carboxamide;hydrochloride.

Molecular Properties

Compound Name1-amino-N-[(2,3,4-trimethoxyphenyl)methyl]cyclohexane-1-carboxamide;hydrochloride
PubChem CID119285335
Molecular FormulaC17H27ClN2O4
Molecular Weight358.87 g/mol
Exact Mass358.17
IUPAC Name1-amino-N-[(2,3,4-trimethoxyphenyl)methyl]cyclohexane-1-carboxamide;hydrochloride
SMILESCOc1ccc(CNC(=O)C2(N)CCCCC2)c(OC)c1OC.Cl
InChIInChI=1S/C17H26N2O4.ClH/c1-21-13-8-7-12(14(22-2)15(13)23-3)11-19-16(20)17(18)9-5-4-6-10-17;/h7-8H,4-6,9-11,18H2,1-3H3,(H,19,20);1H
InChIKeyFETWRRMXDCNDLX-UHFFFAOYSA-N
XLogP2.41
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 ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-amino-N-[(2,3-dimethoxyphenyl)methyl]cyclohexane-1-carboxamide
CID 119281357
1-amino-N-[(2,3-dimethoxyphenyl)methyl]cyclopentane-1-carboxamide
CID 119281351
1-amino-N-[(3,4-dimethoxyphenyl)methyl]cyclopentane-1-carboxamide;hydrochloride
CID 119263568
N-[(2,3,4-trimethoxyphenyl)methyl]acetamide
CID 18425632
1-(4-chlorophenyl)-N-[(2,3,4-trimethoxyphenyl)methyl]cyclopropane-1-carboxamide
CID 86925548
1-amino-N-[(2-cyclopentyloxy-4-methoxyphenyl)methyl]cyclohexane-1-carboxamide;hydrochloride
CID 119334428
1-amino-N-[2-(2,5-dimethoxyphenyl)ethyl]cyclohexane-1-carboxamide;hydrochloride
CID 119279781
1-amino-N-[(4-chloro-2-methoxyphenyl)methyl]cyclopropane-1-carboxamide;hydrochloride
CID 119779146
4-amino-N-[(2,5-dimethoxyphenyl)methyl]oxane-4-carboxamide
CID 115294665
1-amino-N-[(5-fluoro-2-methoxyphenyl)methyl]cyclopropane-1-carboxamide
CID 115189779
N-[(2,3,4-trimethoxyphenyl)methyl]cyclopentanecarboxamide
CID 95945674
4-amino-N-[(2,3,4-trimethoxyphenyl)methyl]pentanamide;hydrochloride
CID 120560098

Frequently Asked Questions

What is the IUPAC name of 1-amino-N-[(2,3,4-trimethoxyphenyl)methyl]cyclohexane-1-carboxamide;hydrochloride?
The IUPAC name of 1-amino-N-[(2,3,4-trimethoxyphenyl)methyl]cyclohexane-1-carboxamide;hydrochloride (CID 119285335) is 1-amino-N-[(2,3,4-trimethoxyphenyl)methyl]cyclohexane-1-carboxamide;hydrochloride.
What is the SMILES notation for 1-amino-N-[(2,3,4-trimethoxyphenyl)methyl]cyclohexane-1-carboxamide;hydrochloride?
The canonical SMILES for 1-amino-N-[(2,3,4-trimethoxyphenyl)methyl]cyclohexane-1-carboxamide;hydrochloride is COc1ccc(CNC(=O)C2(N)CCCCC2)c(OC)c1OC.Cl.
What is the InChIKey of 1-amino-N-[(2,3,4-trimethoxyphenyl)methyl]cyclohexane-1-carboxamide;hydrochloride?
The InChIKey is FETWRRMXDCNDLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O4.ClH/c1-21-13-8-7-12(14(22-2)15(13)23-3)11-19-16(20)17(18)9-5-4-6-10-17;/h7-8H,4-6,9-11,18H2,1-3H3,(H,19,20);1H.
What are the key properties of 1-amino-N-[(2,3,4-trimethoxyphenyl)methyl]cyclohexane-1-carboxamide;hydrochloride?
1-amino-N-[(2,3,4-trimethoxyphenyl)methyl]cyclohexane-1-carboxamide;hydrochloride has a molecular weight of 358.87 g/mol, XLogP of 2.41, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-N-[(2,3,4-trimethoxyphenyl)methyl]cyclohexane-1-carboxamide;hydrochloride is sourced from PubChem (CID 119285335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).