N-(2-amino-1-cyclohexylethyl)-3-methoxy-4-methylbenzamide

C17H26N2O2 — CID 81485984

IUPACN-(2-amino-1-cyclohexylethyl)-3-methoxy-4-methylbenzamide
SMILESCOc1cc(C(=O)NC(CN)C2CCCCC2)ccc1C
InChIInChI=1S/C17H26N2O2/c1-12-8-9-14(10-16(12)21-2)17(20)19-15(11-18)13-6-4-3-5-7-13/h8-10,13,15H,3-7,11,18H2,1-2H3,(H,19,20)
InChIKeyUEPFAKIBJABXQU-UHFFFAOYSA-N
MW290.41 g/mol
LogP2.64
Rot. Bonds5

About N-(2-amino-1-cyclohexylethyl)-3-methoxy-4-methylbenzamide

N-(2-amino-1-cyclohexylethyl)-3-methoxy-4-methylbenzamide (PubChem CID 81485984) has the molecular formula C17H26N2O2 and a molecular weight of 290.41 g/mol. Its IUPAC name is N-(2-amino-1-cyclohexylethyl)-3-methoxy-4-methylbenzamide.

Molecular Properties

Compound NameN-(2-amino-1-cyclohexylethyl)-3-methoxy-4-methylbenzamide
PubChem CID81485984
Molecular FormulaC17H26N2O2
Molecular Weight290.41 g/mol
Exact Mass290.20
IUPAC NameN-(2-amino-1-cyclohexylethyl)-3-methoxy-4-methylbenzamide
SMILESCOc1cc(C(=O)NC(CN)C2CCCCC2)ccc1C
InChIInChI=1S/C17H26N2O2/c1-12-8-9-14(10-16(12)21-2)17(20)19-15(11-18)13-6-4-3-5-7-13/h8-10,13,15H,3-7,11,18H2,1-2H3,(H,19,20)
InChIKeyUEPFAKIBJABXQU-UHFFFAOYSA-N
XLogP2.64
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-amino-1-cyclohexylethyl)-3,5-dimethoxy-4-methylbenzamide;hydrochloride
CID 119592013
N-(2-amino-1-cyclopentylethyl)-3-bromo-4-methoxybenzamide
CID 106737408
N-(2-amino-1-cyclohexylethyl)-3-methoxybenzamide;hydrochloride
CID 119591989
N-(2-amino-1-cyclohexylethyl)-4-methoxy-3-nitrobenzamide;hydrochloride
CID 119591436
4-amino-N-(1-cyclohexylpropyl)-3-methoxybenzamide
CID 104782852
3-acetamido-N-(2-amino-1-cyclohexylethyl)-4,5-dimethoxybenzamide
CID 119589329
N-[(2S)-1-aminopropan-2-yl]-3-methoxy-4-methylbenzamide
CID 120507834
N-(2-amino-1-cyclopropylethyl)-3-fluoro-4-methylbenzamide;hydrochloride
CID 119614951
N-(2-amino-1-cyclohexylethyl)-3,4-dichlorobenzamide
CID 81486899
N-(2-amino-1-cyclohexylethyl)-4-(3-methoxypropoxy)benzamide;hydrochloride
CID 119590589
N-(2-amino-1-cyclopropylethyl)-3-methoxy-4-[2-(methylamino)-2-oxoethoxy]benzamide;hydrochloride
CID 119613742
N-(2-amino-1-cyclohexylethyl)-4-methyl-3-(phenylcarbamoylamino)benzamide
CID 119591792

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-1-cyclohexylethyl)-3-methoxy-4-methylbenzamide?
The IUPAC name of N-(2-amino-1-cyclohexylethyl)-3-methoxy-4-methylbenzamide (CID 81485984) is N-(2-amino-1-cyclohexylethyl)-3-methoxy-4-methylbenzamide.
What is the SMILES notation for N-(2-amino-1-cyclohexylethyl)-3-methoxy-4-methylbenzamide?
The canonical SMILES for N-(2-amino-1-cyclohexylethyl)-3-methoxy-4-methylbenzamide is COc1cc(C(=O)NC(CN)C2CCCCC2)ccc1C.
What is the InChIKey of N-(2-amino-1-cyclohexylethyl)-3-methoxy-4-methylbenzamide?
The InChIKey is UEPFAKIBJABXQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O2/c1-12-8-9-14(10-16(12)21-2)17(20)19-15(11-18)13-6-4-3-5-7-13/h8-10,13,15H,3-7,11,18H2,1-2H3,(H,19,20).
What are the key properties of N-(2-amino-1-cyclohexylethyl)-3-methoxy-4-methylbenzamide?
N-(2-amino-1-cyclohexylethyl)-3-methoxy-4-methylbenzamide has a molecular weight of 290.41 g/mol, XLogP of 2.64, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-1-cyclohexylethyl)-3-methoxy-4-methylbenzamide is sourced from PubChem (CID 81485984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).