1-[2-(cyclopropylamino)-2-oxoethyl]-N-[(2-methoxyphenyl)methyl]cyclohexane-1-carboxamide;ethane

C22H34N2O3 — CID 102564303

IUPAC1-[2-(cyclopropylamino)-2-oxoethyl]-N-[(2-methoxyphenyl)methyl]cyclohexane-1-carboxamide;ethane
SMILESCC.COc1ccccc1CNC(=O)C1(CC(=O)NC2CC2)CCCCC1
InChIInChI=1S/C20H28N2O3.C2H6/c1-25-17-8-4-3-7-15(17)14-21-19(24)20(11-5-2-6-12-20)13-18(23)22-16-9-10-16;1-2/h3-4,7-8,16H,2,5-6,9-14H2,1H3,(H,21,24)(H,22,23);1-2H3
InChIKeyAUMUJEWQVNOMHP-UHFFFAOYSA-N
MW374.53 g/mol
LogP3.96
Rot. Bonds7

About 1-[2-(cyclopropylamino)-2-oxoethyl]-N-[(2-methoxyphenyl)methyl]cyclohexane-1-carboxamide;ethane

1-[2-(cyclopropylamino)-2-oxoethyl]-N-[(2-methoxyphenyl)methyl]cyclohexane-1-carboxamide;ethane (PubChem CID 102564303) has the molecular formula C22H34N2O3 and a molecular weight of 374.53 g/mol. Its IUPAC name is 1-[2-(cyclopropylamino)-2-oxoethyl]-N-[(2-methoxyphenyl)methyl]cyclohexane-1-carboxamide;ethane.

Molecular Properties

Compound Name1-[2-(cyclopropylamino)-2-oxoethyl]-N-[(2-methoxyphenyl)methyl]cyclohexane-1-carboxamide;ethane
PubChem CID102564303
Molecular FormulaC22H34N2O3
Molecular Weight374.53 g/mol
Exact Mass374.26
IUPAC Name1-[2-(cyclopropylamino)-2-oxoethyl]-N-[(2-methoxyphenyl)methyl]cyclohexane-1-carboxamide;ethane
SMILESCC.COc1ccccc1CNC(=O)C1(CC(=O)NC2CC2)CCCCC1
InChIInChI=1S/C20H28N2O3.C2H6/c1-25-17-8-4-3-7-15(17)14-21-19(24)20(11-5-2-6-12-20)13-18(23)22-16-9-10-16;1-2/h3-4,7-8,16H,2,5-6,9-14H2,1H3,(H,21,24)(H,22,23);1-2H3
InChIKeyAUMUJEWQVNOMHP-UHFFFAOYSA-N
XLogP3.96
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.53
LogP ≤ 53.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-[2-(cyclopropylamino)-2-oxoethyl]-N-[(2-methoxyphenyl)methyl]cyclohexane-1-carboxamide;ethane with MolForge

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Related Compounds

N'-cyclopropyl-N-[(2-methoxyphenyl)methyl]oxamide
CID 578186
4-N-cyclohexyl-1-N-[(2-methoxyphenyl)methyl]cyclohexane-1,4-dicarboxamide
CID 109146102
2-(cyclohexylcarbamoylamino)-N-[(2-methoxyphenyl)methyl]acetamide
CID 112992729
N-[(2-methoxyphenyl)methyl]-1-phenylcyclopentane-1-carboxamide
CID 4644139
4-[[2-(2-methoxyphenyl)acetyl]amino]cyclohexane-1-carboxylic acid
CID 60809174
cis-(1S,3R)-3-[[2-(2-methoxyphenyl)acetyl]amino]cyclopentane-1-carboxylic acid
CID 120675040
1-N'-(1,1-dioxothiolan-3-yl)-1-N-[(2-methoxyphenyl)methyl]cyclopropane-1,1-dicarboxamide
CID 108976171
N-(5-tert-butyl-2-methoxyphenyl)-1-[2-(cyclopropylamino)-2-oxoethyl]cyclopentane-1-carboxamide
CID 17484166
3-N-cyclohexyl-1-N-[(2-methoxyphenyl)methyl]benzene-1,3-dicarboxamide
CID 109052154
N-cyclopropyl-2-[(2-methoxyphenyl)methylamino]propanamide
CID 43086271
1-amino-N-[(2,3-dimethoxyphenyl)methyl]cyclohexane-1-carboxamide
CID 119281357
[2-(cyclopropylamino)-2-oxoethyl]-[(2-methoxyphenyl)methyl]-methylazanium
CID 8909591

Frequently Asked Questions

What is the IUPAC name of 1-[2-(cyclopropylamino)-2-oxoethyl]-N-[(2-methoxyphenyl)methyl]cyclohexane-1-carboxamide;ethane?
The IUPAC name of 1-[2-(cyclopropylamino)-2-oxoethyl]-N-[(2-methoxyphenyl)methyl]cyclohexane-1-carboxamide;ethane (CID 102564303) is 1-[2-(cyclopropylamino)-2-oxoethyl]-N-[(2-methoxyphenyl)methyl]cyclohexane-1-carboxamide;ethane.
What is the SMILES notation for 1-[2-(cyclopropylamino)-2-oxoethyl]-N-[(2-methoxyphenyl)methyl]cyclohexane-1-carboxamide;ethane?
The canonical SMILES for 1-[2-(cyclopropylamino)-2-oxoethyl]-N-[(2-methoxyphenyl)methyl]cyclohexane-1-carboxamide;ethane is CC.COc1ccccc1CNC(=O)C1(CC(=O)NC2CC2)CCCCC1.
What is the InChIKey of 1-[2-(cyclopropylamino)-2-oxoethyl]-N-[(2-methoxyphenyl)methyl]cyclohexane-1-carboxamide;ethane?
The InChIKey is AUMUJEWQVNOMHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N2O3.C2H6/c1-25-17-8-4-3-7-15(17)14-21-19(24)20(11-5-2-6-12-20)13-18(23)22-16-9-10-16;1-2/h3-4,7-8,16H,2,5-6,9-14H2,1H3,(H,21,24)(H,22,23);1-2H3.
What are the key properties of 1-[2-(cyclopropylamino)-2-oxoethyl]-N-[(2-methoxyphenyl)methyl]cyclohexane-1-carboxamide;ethane?
1-[2-(cyclopropylamino)-2-oxoethyl]-N-[(2-methoxyphenyl)methyl]cyclohexane-1-carboxamide;ethane has a molecular weight of 374.53 g/mol, XLogP of 3.96, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(cyclopropylamino)-2-oxoethyl]-N-[(2-methoxyphenyl)methyl]cyclohexane-1-carboxamide;ethane is sourced from PubChem (CID 102564303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).