N-(2-amino-1-cyclohexylethyl)-2-(3,4-dimethoxyphenyl)acetamide

C18H28N2O3 — CID 119590262

IUPACN-(2-amino-1-cyclohexylethyl)-2-(3,4-dimethoxyphenyl)acetamide
SMILESCOc1ccc(CC(=O)NC(CN)C2CCCCC2)cc1OC
InChIInChI=1S/C18H28N2O3/c1-22-16-9-8-13(10-17(16)23-2)11-18(21)20-15(12-19)14-6-4-3-5-7-14/h8-10,14-15H,3-7,11-12,19H2,1-2H3,(H,20,21)
InChIKeyBCDCCQVVHAEITB-UHFFFAOYSA-N
MW320.43 g/mol
LogP2.27
Rot. Bonds7

About N-(2-amino-1-cyclohexylethyl)-2-(3,4-dimethoxyphenyl)acetamide

N-(2-amino-1-cyclohexylethyl)-2-(3,4-dimethoxyphenyl)acetamide (PubChem CID 119590262) has the molecular formula C18H28N2O3 and a molecular weight of 320.43 g/mol. Its IUPAC name is N-(2-amino-1-cyclohexylethyl)-2-(3,4-dimethoxyphenyl)acetamide.

Molecular Properties

Compound NameN-(2-amino-1-cyclohexylethyl)-2-(3,4-dimethoxyphenyl)acetamide
PubChem CID119590262
Molecular FormulaC18H28N2O3
Molecular Weight320.43 g/mol
Exact Mass320.21
IUPAC NameN-(2-amino-1-cyclohexylethyl)-2-(3,4-dimethoxyphenyl)acetamide
SMILESCOc1ccc(CC(=O)NC(CN)C2CCCCC2)cc1OC
InChIInChI=1S/C18H28N2O3/c1-22-16-9-8-13(10-17(16)23-2)11-18(21)20-15(12-19)14-6-4-3-5-7-14/h8-10,14-15H,3-7,11-12,19H2,1-2H3,(H,20,21)
InChIKeyBCDCCQVVHAEITB-UHFFFAOYSA-N
XLogP2.27
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.43
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-amino-1-cyclohexylethyl)-2-(3,4,5-trimethoxyphenyl)acetamide;hydrochloride
CID 119591423
N-cycloheptyl-2-(3,4-dimethoxyphenyl)acetamide
CID 720355
N-(2-amino-1-cyclohexylethyl)-2-(3,4-dimethoxyphenyl)-2-methylpropanamide;hydrochloride
CID 119589762
N-(2-amino-1-cyclohexylethyl)-3-methoxy-4-methylbenzamide
CID 81485984
2-(5-acetyl-2-methoxyphenyl)-N-(2-amino-1-cyclopropylethyl)acetamide
CID 119612751
N-(2-aminocyclohexyl)-2-(3,4-dimethoxyphenyl)acetamide
CID 61037756
N-(2-amino-1-cyclohexylethyl)-2-[(4-methoxy-3-nitrophenyl)methylsulfanyl]acetamide
CID 119589146
N-(2-amino-1-cyclohexylethyl)-2-[4-(difluoromethoxy)phenyl]acetamide;hydrochloride
CID 119590309
N-(2-amino-1-cyclopropylethyl)-3-(3,4-dimethoxyphenyl)sulfanylpropanamide;hydrochloride
CID 119615872
N-(2-amino-1-cyclohexylethyl)-2-(6-methoxy-1-benzofuran-3-yl)acetamide
CID 119590691
3-cyclopropyl-3-[[2-(3-methoxy-4-methylphenyl)acetyl]amino]propanoic acid
CID 81368722
N-(2-amino-1-cyclopentylethyl)-3-bromo-4-methoxybenzamide
CID 106737408

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-1-cyclohexylethyl)-2-(3,4-dimethoxyphenyl)acetamide?
The IUPAC name of N-(2-amino-1-cyclohexylethyl)-2-(3,4-dimethoxyphenyl)acetamide (CID 119590262) is N-(2-amino-1-cyclohexylethyl)-2-(3,4-dimethoxyphenyl)acetamide.
What is the SMILES notation for N-(2-amino-1-cyclohexylethyl)-2-(3,4-dimethoxyphenyl)acetamide?
The canonical SMILES for N-(2-amino-1-cyclohexylethyl)-2-(3,4-dimethoxyphenyl)acetamide is COc1ccc(CC(=O)NC(CN)C2CCCCC2)cc1OC.
What is the InChIKey of N-(2-amino-1-cyclohexylethyl)-2-(3,4-dimethoxyphenyl)acetamide?
The InChIKey is BCDCCQVVHAEITB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O3/c1-22-16-9-8-13(10-17(16)23-2)11-18(21)20-15(12-19)14-6-4-3-5-7-14/h8-10,14-15H,3-7,11-12,19H2,1-2H3,(H,20,21).
What are the key properties of N-(2-amino-1-cyclohexylethyl)-2-(3,4-dimethoxyphenyl)acetamide?
N-(2-amino-1-cyclohexylethyl)-2-(3,4-dimethoxyphenyl)acetamide has a molecular weight of 320.43 g/mol, XLogP of 2.27, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-1-cyclohexylethyl)-2-(3,4-dimethoxyphenyl)acetamide is sourced from PubChem (CID 119590262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).