2-(N-acetyl-2-methoxy-5-methylanilino)-N-[2-(cyclohexen-1-yl)ethyl]acetamide

C20H28N2O3 — CID 113174030

IUPAC2-(N-acetyl-2-methoxy-5-methylanilino)-N-[2-(cyclohexen-1-yl)ethyl]acetamide
SMILESCOc1ccc(C)cc1N(CC(=O)NCCC1=CCCCC1)C(C)=O
InChIInChI=1S/C20H28N2O3/c1-15-9-10-19(25-3)18(13-15)22(16(2)23)14-20(24)21-12-11-17-7-5-4-6-8-17/h7,9-10,13H,4-6,8,11-12,14H2,1-3H3,(H,21,24)
InChIKeyCODZLVZEEUZWIL-UHFFFAOYSA-N
MW344.46 g/mol
LogP3.36
Rot. Bonds7

About 2-(N-acetyl-2-methoxy-5-methylanilino)-N-[2-(cyclohexen-1-yl)ethyl]acetamide

2-(N-acetyl-2-methoxy-5-methylanilino)-N-[2-(cyclohexen-1-yl)ethyl]acetamide (PubChem CID 113174030) has the molecular formula C20H28N2O3 and a molecular weight of 344.46 g/mol. Its IUPAC name is 2-(N-acetyl-2-methoxy-5-methylanilino)-N-[2-(cyclohexen-1-yl)ethyl]acetamide.

Molecular Properties

Compound Name2-(N-acetyl-2-methoxy-5-methylanilino)-N-[2-(cyclohexen-1-yl)ethyl]acetamide
PubChem CID113174030
Molecular FormulaC20H28N2O3
Molecular Weight344.46 g/mol
Exact Mass344.21
IUPAC Name2-(N-acetyl-2-methoxy-5-methylanilino)-N-[2-(cyclohexen-1-yl)ethyl]acetamide
SMILESCOc1ccc(C)cc1N(CC(=O)NCCC1=CCCCC1)C(C)=O
InChIInChI=1S/C20H28N2O3/c1-15-9-10-19(25-3)18(13-15)22(16(2)23)14-20(24)21-12-11-17-7-5-4-6-8-17/h7,9-10,13H,4-6,8,11-12,14H2,1-3H3,(H,21,24)
InChIKeyCODZLVZEEUZWIL-UHFFFAOYSA-N
XLogP3.36
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.46
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-(N-acetyl-2-methoxy-5-methylanilino)-N-[2-(cyclohexen-1-yl)ethyl]propanamide
CID 113129538
2-(N-acetyl-3,4-dimethylanilino)-N-[2-(cyclohexen-1-yl)ethyl]acetamide
CID 113168247
2-(N-acetyl-2-ethylanilino)-N-[2-(cyclohexen-1-yl)ethyl]acetamide
CID 113169023
2-[acetyl-[2-(cyclohexen-1-yl)ethyl]amino]-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide
CID 113159656
N-[2-(cyclohexen-1-yl)ethyl]-2-(2,4-dimethoxy-N-(4-methylphenyl)sulfonylanilino)acetamide
CID 126033858
2-(N-acetyl-2-methoxy-5-methylanilino)-N-[(4-chlorophenyl)methyl]acetamide
CID 113174052
2-(4-acetyl-2-methoxyphenoxy)-N-[2-(cyclohexen-1-yl)ethyl]acetamide
CID 26054504
2-(N-acetyl-2-methoxy-5-methylanilino)-N-(oxolan-2-ylmethyl)acetamide
CID 113174034
N-[2-(cyclohexen-1-yl)ethyl]-N'-(3,4-dimethoxyphenyl)propanediamide
CID 108942996
N-[2-(cyclohexen-1-yl)ethyl]-2-(2,5-dimethylphenyl)acetamide
CID 92682179
N-[2-(cyclohexen-1-yl)ethyl]-2-[(3,4-dimethoxyphenyl)methylamino]acetamide
CID 108993937
N-[2-(cyclohexen-1-yl)ethyl]-2-(3,4,5-trimethoxyphenyl)acetamide
CID 27666325

Frequently Asked Questions

What is the IUPAC name of 2-(N-acetyl-2-methoxy-5-methylanilino)-N-[2-(cyclohexen-1-yl)ethyl]acetamide?
The IUPAC name of 2-(N-acetyl-2-methoxy-5-methylanilino)-N-[2-(cyclohexen-1-yl)ethyl]acetamide (CID 113174030) is 2-(N-acetyl-2-methoxy-5-methylanilino)-N-[2-(cyclohexen-1-yl)ethyl]acetamide.
What is the SMILES notation for 2-(N-acetyl-2-methoxy-5-methylanilino)-N-[2-(cyclohexen-1-yl)ethyl]acetamide?
The canonical SMILES for 2-(N-acetyl-2-methoxy-5-methylanilino)-N-[2-(cyclohexen-1-yl)ethyl]acetamide is COc1ccc(C)cc1N(CC(=O)NCCC1=CCCCC1)C(C)=O.
What is the InChIKey of 2-(N-acetyl-2-methoxy-5-methylanilino)-N-[2-(cyclohexen-1-yl)ethyl]acetamide?
The InChIKey is CODZLVZEEUZWIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N2O3/c1-15-9-10-19(25-3)18(13-15)22(16(2)23)14-20(24)21-12-11-17-7-5-4-6-8-17/h7,9-10,13H,4-6,8,11-12,14H2,1-3H3,(H,21,24).
What are the key properties of 2-(N-acetyl-2-methoxy-5-methylanilino)-N-[2-(cyclohexen-1-yl)ethyl]acetamide?
2-(N-acetyl-2-methoxy-5-methylanilino)-N-[2-(cyclohexen-1-yl)ethyl]acetamide has a molecular weight of 344.46 g/mol, XLogP of 3.36, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(N-acetyl-2-methoxy-5-methylanilino)-N-[2-(cyclohexen-1-yl)ethyl]acetamide is sourced from PubChem (CID 113174030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).