2-[2-(cyclohexen-1-yl)ethylamino]-N-[(2-methoxyphenyl)methyl]acetamide

C18H26N2O2 — CID 108993813

IUPAC2-[2-(cyclohexen-1-yl)ethylamino]-N-[(2-methoxyphenyl)methyl]acetamide
SMILESCOc1ccccc1CNC(=O)CNCCC1=CCCCC1
InChIInChI=1S/C18H26N2O2/c1-22-17-10-6-5-9-16(17)13-20-18(21)14-19-12-11-15-7-3-2-4-8-15/h5-7,9-10,19H,2-4,8,11-14H2,1H3,(H,20,21)
InChIKeyPXRWFRDQSQLFOJ-UHFFFAOYSA-N
MW302.42 g/mol
LogP2.79
Rot. Bonds8

About 2-[2-(cyclohexen-1-yl)ethylamino]-N-[(2-methoxyphenyl)methyl]acetamide

2-[2-(cyclohexen-1-yl)ethylamino]-N-[(2-methoxyphenyl)methyl]acetamide (PubChem CID 108993813) has the molecular formula C18H26N2O2 and a molecular weight of 302.42 g/mol. Its IUPAC name is 2-[2-(cyclohexen-1-yl)ethylamino]-N-[(2-methoxyphenyl)methyl]acetamide.

Molecular Properties

Compound Name2-[2-(cyclohexen-1-yl)ethylamino]-N-[(2-methoxyphenyl)methyl]acetamide
PubChem CID108993813
Molecular FormulaC18H26N2O2
Molecular Weight302.42 g/mol
Exact Mass302.20
IUPAC Name2-[2-(cyclohexen-1-yl)ethylamino]-N-[(2-methoxyphenyl)methyl]acetamide
SMILESCOc1ccccc1CNC(=O)CNCCC1=CCCCC1
InChIInChI=1S/C18H26N2O2/c1-22-17-10-6-5-9-16(17)13-20-18(21)14-19-12-11-15-7-3-2-4-8-15/h5-7,9-10,19H,2-4,8,11-14H2,1H3,(H,20,21)
InChIKeyPXRWFRDQSQLFOJ-UHFFFAOYSA-N
XLogP2.79
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.42
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(cyclohexen-1-yl)ethyl]-2-[2-(2-methoxyphenyl)ethylamino]acetamide
CID 108993930
1-N-[2-(cyclohexen-1-yl)ethyl]-3-N-[(2-methoxyphenyl)methyl]benzene-1,3-dicarboxamide
CID 109052430
3-[acetyl-[2-(cyclohexen-1-yl)ethyl]amino]-N-[(2-methoxyphenyl)methyl]propanamide
CID 113116736
N-[2-(cyclohexen-1-yl)ethyl]-2-[(3,4-dimethoxyphenyl)methylamino]acetamide
CID 108993937
2-[2-(cyclohexen-1-yl)ethylamino]-N-[(3-methylphenyl)methyl]acetamide
CID 108993808
N-[(2-methoxyphenyl)methyl]-2-(2-morpholin-4-ylethylamino)acetamide
CID 108994758
2-[3-(dimethylamino)propylamino]-N-[(2-methoxyphenyl)methyl]acetamide
CID 108995055
N-[2-(cyclohexen-1-yl)ethyl]-2-[1-(2-methoxyphenyl)ethylamino]acetamide;oxalic acid
CID 47006554
N-[2-(cyclohexen-1-yl)ethyl]-2-[(2-methoxyphenyl)methylamino]-6-methylpyrimidine-4-carboxamide
CID 109323394
N-[(4-chlorophenyl)methyl]-2-[2-(2-methoxyphenyl)ethylamino]acetamide
CID 108998211
1-[2-(cyclohexen-1-yl)ethyl]-3-[(2,3-dimethoxyphenyl)methyl]-2-methylguanidine
CID 111208865
5-[2-(cyclohexen-1-yl)ethylamino]-N-[2-(2-methoxyphenyl)ethyl]pyridine-2-carboxamide
CID 109183740

Frequently Asked Questions

What is the IUPAC name of 2-[2-(cyclohexen-1-yl)ethylamino]-N-[(2-methoxyphenyl)methyl]acetamide?
The IUPAC name of 2-[2-(cyclohexen-1-yl)ethylamino]-N-[(2-methoxyphenyl)methyl]acetamide (CID 108993813) is 2-[2-(cyclohexen-1-yl)ethylamino]-N-[(2-methoxyphenyl)methyl]acetamide.
What is the SMILES notation for 2-[2-(cyclohexen-1-yl)ethylamino]-N-[(2-methoxyphenyl)methyl]acetamide?
The canonical SMILES for 2-[2-(cyclohexen-1-yl)ethylamino]-N-[(2-methoxyphenyl)methyl]acetamide is COc1ccccc1CNC(=O)CNCCC1=CCCCC1.
What is the InChIKey of 2-[2-(cyclohexen-1-yl)ethylamino]-N-[(2-methoxyphenyl)methyl]acetamide?
The InChIKey is PXRWFRDQSQLFOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O2/c1-22-17-10-6-5-9-16(17)13-20-18(21)14-19-12-11-15-7-3-2-4-8-15/h5-7,9-10,19H,2-4,8,11-14H2,1H3,(H,20,21).
What are the key properties of 2-[2-(cyclohexen-1-yl)ethylamino]-N-[(2-methoxyphenyl)methyl]acetamide?
2-[2-(cyclohexen-1-yl)ethylamino]-N-[(2-methoxyphenyl)methyl]acetamide has a molecular weight of 302.42 g/mol, XLogP of 2.79, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(cyclohexen-1-yl)ethylamino]-N-[(2-methoxyphenyl)methyl]acetamide is sourced from PubChem (CID 108993813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).