N-[2-(cyclohexen-1-yl)ethyl]-2-[1-(2-methoxyphenyl)ethylamino]acetamide;oxalic acid

C21H30N2O6 — CID 47006554

IUPACN-[2-(cyclohexen-1-yl)ethyl]-2-[1-(2-methoxyphenyl)ethylamino]acetamide;oxalic acid
SMILESCOc1ccccc1C(C)NCC(=O)NCCC1=CCCCC1.O=C(O)C(=O)O
InChIInChI=1S/C19H28N2O2.C2H2O4/c1-15(17-10-6-7-11-18(17)23-2)21-14-19(22)20-13-12-16-8-4-3-5-9-16;3-1(4)2(5)6/h6-8,10-11,15,21H,3-5,9,12-14H2,1-2H3,(H,20,22);(H,3,4)(H,5,6)
InChIKeyGHFNDWICQJAHES-UHFFFAOYSA-N
MW406.48 g/mol
LogP2.51
Rot. Bonds8

About N-[2-(cyclohexen-1-yl)ethyl]-2-[1-(2-methoxyphenyl)ethylamino]acetamide;oxalic acid

N-[2-(cyclohexen-1-yl)ethyl]-2-[1-(2-methoxyphenyl)ethylamino]acetamide;oxalic acid (PubChem CID 47006554) has the molecular formula C21H30N2O6 and a molecular weight of 406.48 g/mol. Its IUPAC name is N-[2-(cyclohexen-1-yl)ethyl]-2-[1-(2-methoxyphenyl)ethylamino]acetamide;oxalic acid.

Molecular Properties

Compound NameN-[2-(cyclohexen-1-yl)ethyl]-2-[1-(2-methoxyphenyl)ethylamino]acetamide;oxalic acid
PubChem CID47006554
Molecular FormulaC21H30N2O6
Molecular Weight406.48 g/mol
Exact Mass406.21
IUPAC NameN-[2-(cyclohexen-1-yl)ethyl]-2-[1-(2-methoxyphenyl)ethylamino]acetamide;oxalic acid
SMILESCOc1ccccc1C(C)NCC(=O)NCCC1=CCCCC1.O=C(O)C(=O)O
InChIInChI=1S/C19H28N2O2.C2H2O4/c1-15(17-10-6-7-11-18(17)23-2)21-14-19(22)20-13-12-16-8-4-3-5-9-16;3-1(4)2(5)6/h6-8,10-11,15,21H,3-5,9,12-14H2,1-2H3,(H,20,22);(H,3,4)(H,5,6)
InChIKeyGHFNDWICQJAHES-UHFFFAOYSA-N
XLogP2.51
TPSA124.96 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.48
LogP ≤ 52.51
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze N-[2-(cyclohexen-1-yl)ethyl]-2-[1-(2-methoxyphenyl)ethylamino]acetamide;oxalic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[2-(cyclohexen-1-yl)ethyl]-2-[2-(2-methoxyphenyl)ethylamino]acetamide
CID 108993930
N-butyl-2-[[(1R)-1-(2-methoxyphenyl)ethyl]amino]acetamide
CID 81386987
N-[2-(cyclohexen-1-yl)ethyl]-3-(1-phenylethylamino)propanamide
CID 109014640
2-[2-(cyclohexen-1-yl)ethylamino]-N-[(2-methoxyphenyl)methyl]acetamide
CID 108993813
methyl N-[2-[2-(cyclohexen-1-yl)ethylamino]-2-oxoethyl]carbamate
CID 112991092
N-[2-[2-(cyclohexen-1-yl)ethylamino]-2-oxoethyl]-2,2-diphenylacetamide
CID 112991069
N-[2-(cyclohexen-1-yl)ethyl]-1-(2-methoxyphenyl)propan-1-amine
CID 43766332
1-[2-(cyclohexen-1-yl)ethyl]-3-[2-(2-propan-2-ylphenoxy)ethyl]urea
CID 112972191
N-[2-(cyclohexen-1-yl)ethyl]-2-[(3,4-dimethoxyphenyl)methylamino]acetamide
CID 108993937
N-[2-(4-chlorophenyl)sulfanylethyl]-2-[1-(2-methoxyphenyl)ethylamino]acetamide;oxalic acid
CID 47010932
N-[2-(cyclohexen-1-yl)ethyl]-1-(2-methoxyphenyl)cyclopropane-1-carboxamide
CID 30945125
N-[2-(cyclohexen-1-yl)ethyl]-2-phenylpropanamide
CID 71304909

Frequently Asked Questions

What is the IUPAC name of N-[2-(cyclohexen-1-yl)ethyl]-2-[1-(2-methoxyphenyl)ethylamino]acetamide;oxalic acid?
The IUPAC name of N-[2-(cyclohexen-1-yl)ethyl]-2-[1-(2-methoxyphenyl)ethylamino]acetamide;oxalic acid (CID 47006554) is N-[2-(cyclohexen-1-yl)ethyl]-2-[1-(2-methoxyphenyl)ethylamino]acetamide;oxalic acid.
What is the SMILES notation for N-[2-(cyclohexen-1-yl)ethyl]-2-[1-(2-methoxyphenyl)ethylamino]acetamide;oxalic acid?
The canonical SMILES for N-[2-(cyclohexen-1-yl)ethyl]-2-[1-(2-methoxyphenyl)ethylamino]acetamide;oxalic acid is COc1ccccc1C(C)NCC(=O)NCCC1=CCCCC1.O=C(O)C(=O)O.
What is the InChIKey of N-[2-(cyclohexen-1-yl)ethyl]-2-[1-(2-methoxyphenyl)ethylamino]acetamide;oxalic acid?
The InChIKey is GHFNDWICQJAHES-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2O2.C2H2O4/c1-15(17-10-6-7-11-18(17)23-2)21-14-19(22)20-13-12-16-8-4-3-5-9-16;3-1(4)2(5)6/h6-8,10-11,15,21H,3-5,9,12-14H2,1-2H3,(H,20,22);(H,3,4)(H,5,6).
What are the key properties of N-[2-(cyclohexen-1-yl)ethyl]-2-[1-(2-methoxyphenyl)ethylamino]acetamide;oxalic acid?
N-[2-(cyclohexen-1-yl)ethyl]-2-[1-(2-methoxyphenyl)ethylamino]acetamide;oxalic acid has a molecular weight of 406.48 g/mol, XLogP of 2.51, 8 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(cyclohexen-1-yl)ethyl]-2-[1-(2-methoxyphenyl)ethylamino]acetamide;oxalic acid is sourced from PubChem (CID 47006554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).