N-[2-(aminomethyl)cyclohexyl]-3,4,5-triethoxybenzamide

C20H32N2O4 — CID 119610034

IUPACN-[2-(aminomethyl)cyclohexyl]-3,4,5-triethoxybenzamide
SMILESCCOc1cc(C(=O)NC2CCCCC2CN)cc(OCC)c1OCC
InChIInChI=1S/C20H32N2O4/c1-4-24-17-11-15(12-18(25-5-2)19(17)26-6-3)20(23)22-16-10-8-7-9-14(16)13-21/h11-12,14,16H,4-10,13,21H2,1-3H3,(H,22,23)
InChIKeyRMDTXHNRMVQZCW-UHFFFAOYSA-N
MW364.49 g/mol
LogP3.13
Rot. Bonds9

About N-[2-(aminomethyl)cyclohexyl]-3,4,5-triethoxybenzamide

N-[2-(aminomethyl)cyclohexyl]-3,4,5-triethoxybenzamide (PubChem CID 119610034) has the molecular formula C20H32N2O4 and a molecular weight of 364.49 g/mol. Its IUPAC name is N-[2-(aminomethyl)cyclohexyl]-3,4,5-triethoxybenzamide.

Molecular Properties

Compound NameN-[2-(aminomethyl)cyclohexyl]-3,4,5-triethoxybenzamide
PubChem CID119610034
Molecular FormulaC20H32N2O4
Molecular Weight364.49 g/mol
Exact Mass364.24
IUPAC NameN-[2-(aminomethyl)cyclohexyl]-3,4,5-triethoxybenzamide
SMILESCCOc1cc(C(=O)NC2CCCCC2CN)cc(OCC)c1OCC
InChIInChI=1S/C20H32N2O4/c1-4-24-17-11-15(12-18(25-5-2)19(17)26-6-3)20(23)22-16-10-8-7-9-14(16)13-21/h11-12,14,16H,4-10,13,21H2,1-3H3,(H,22,23)
InChIKeyRMDTXHNRMVQZCW-UHFFFAOYSA-N
XLogP3.13
TPSA82.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.49
LogP ≤ 53.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(aminomethyl)cyclopentyl]-3-bromo-4-ethoxy-5-methoxybenzamide
CID 119600537
N-[2-(aminomethyl)cyclohexyl]-3,4,5-trimethoxybenzamide;hydrochloride
CID 119610035
N-[2-(aminomethyl)cyclohexyl]-4-(2-amino-2-oxoethoxy)-3,5-dimethoxybenzamide
CID 119609355
N-[2-(aminomethyl)cyclopentyl]-3-ethoxy-4-propoxybenzamide
CID 119603710
N-[2-(aminomethyl)cyclopentyl]-4-bromo-3,5-dimethoxybenzamide
CID 119600547
N-[2-(aminomethyl)cyclohexyl]-4-butoxybenzamide
CID 119610066
N-[2-(aminomethyl)cyclopentyl]-4-(difluoromethoxy)-3,5-dimethoxybenzamide
CID 119605365
N-[2-(aminomethyl)cyclopentyl]-3,4-dimethoxybenzamide;hydrochloride
CID 119602992
3-amino-4-ethoxy-N-[2-(hydroxymethyl)cyclohexyl]benzamide
CID 106358670
N-[2-(aminomethyl)cyclopentyl]-3,4-dipropoxybenzamide;hydrochloride
CID 119604451
N-[2-(aminomethyl)cyclopentyl]-4-propanoylbenzamide
CID 119603540
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-triethoxybenzamide?
The IUPAC name of N-[2-(aminomethyl)cyclohexyl]-3,4,5-triethoxybenzamide (CID 119610034) is N-[2-(aminomethyl)cyclohexyl]-3,4,5-triethoxybenzamide.
What is the SMILES notation for N-[2-(aminomethyl)cyclohexyl]-3,4,5-triethoxybenzamide?
The canonical SMILES for N-[2-(aminomethyl)cyclohexyl]-3,4,5-triethoxybenzamide is CCOc1cc(C(=O)NC2CCCCC2CN)cc(OCC)c1OCC.
What is the InChIKey of N-[2-(aminomethyl)cyclohexyl]-3,4,5-triethoxybenzamide?
The InChIKey is RMDTXHNRMVQZCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32N2O4/c1-4-24-17-11-15(12-18(25-5-2)19(17)26-6-3)20(23)22-16-10-8-7-9-14(16)13-21/h11-12,14,16H,4-10,13,21H2,1-3H3,(H,22,23).
What are the key properties of N-[2-(aminomethyl)cyclohexyl]-3,4,5-triethoxybenzamide?
N-[2-(aminomethyl)cyclohexyl]-3,4,5-triethoxybenzamide has a molecular weight of 364.49 g/mol, XLogP of 3.13, 9 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-triethoxybenzamide is sourced from PubChem (CID 119610034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).