2-[acetyl-[2-(3-chlorophenyl)ethyl]amino]-N-[2-(cyclohexen-1-yl)ethyl]acetamide

C20H27ClN2O2 — CID 113166855

IUPAC2-[acetyl-[2-(3-chlorophenyl)ethyl]amino]-N-[2-(cyclohexen-1-yl)ethyl]acetamide
SMILESCC(=O)N(CCc1cccc(Cl)c1)CC(=O)NCCC1=CCCCC1
InChIInChI=1S/C20H27ClN2O2/c1-16(24)23(13-11-18-8-5-9-19(21)14-18)15-20(25)22-12-10-17-6-3-2-4-7-17/h5-6,8-9,14H,2-4,7,10-13,15H2,1H3,(H,22,25)
InChIKeyAXUWIUUDNCBYCT-UHFFFAOYSA-N
MW362.90 g/mol
LogP3.74
Rot. Bonds8

About 2-[acetyl-[2-(3-chlorophenyl)ethyl]amino]-N-[2-(cyclohexen-1-yl)ethyl]acetamide

2-[acetyl-[2-(3-chlorophenyl)ethyl]amino]-N-[2-(cyclohexen-1-yl)ethyl]acetamide (PubChem CID 113166855) has the molecular formula C20H27ClN2O2 and a molecular weight of 362.90 g/mol. Its IUPAC name is 2-[acetyl-[2-(3-chlorophenyl)ethyl]amino]-N-[2-(cyclohexen-1-yl)ethyl]acetamide.

Molecular Properties

Compound Name2-[acetyl-[2-(3-chlorophenyl)ethyl]amino]-N-[2-(cyclohexen-1-yl)ethyl]acetamide
PubChem CID113166855
Molecular FormulaC20H27ClN2O2
Molecular Weight362.90 g/mol
Exact Mass362.18
IUPAC Name2-[acetyl-[2-(3-chlorophenyl)ethyl]amino]-N-[2-(cyclohexen-1-yl)ethyl]acetamide
SMILESCC(=O)N(CCc1cccc(Cl)c1)CC(=O)NCCC1=CCCCC1
InChIInChI=1S/C20H27ClN2O2/c1-16(24)23(13-11-18-8-5-9-19(21)14-18)15-20(25)22-12-10-17-6-3-2-4-7-17/h5-6,8-9,14H,2-4,7,10-13,15H2,1H3,(H,22,25)
InChIKeyAXUWIUUDNCBYCT-UHFFFAOYSA-N
XLogP3.74
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.90
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[acetyl-[2-(cyclohexen-1-yl)ethyl]amino]-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide
CID 113159656
2-[acetyl-[2-(cyclohexen-1-yl)ethyl]amino]-N-butylacetamide
CID 113159604
2-[4-[(3-chlorophenyl)methyl]piperazin-1-yl]-N-[2-(cyclohexen-1-yl)ethyl]acetamide
CID 17148746
2-[acetyl-[2-(cyclohexen-1-yl)ethyl]amino]-N-(4-chlorophenyl)acetamide
CID 113159715
2-[acetyl(1,3-benzodioxol-5-ylmethyl)amino]-N-[2-(cyclohexen-1-yl)ethyl]acetamide
CID 113163204
2-[acetyl-[2-(3-chlorophenyl)ethyl]amino]-N-(3,5-dichlorophenyl)acetamide
CID 113166982
3-[acetyl-[2-(4-methoxyphenyl)ethyl]amino]-N-[2-(cyclohexen-1-yl)ethyl]propanamide
CID 113121461
3-[acetyl-[2-(3-chlorophenyl)ethyl]amino]-N-[2-(dimethylamino)ethyl]propanamide
CID 113123194
3-(N-acetyl-3,5-dichloroanilino)-N-[2-(cyclohexen-1-yl)ethyl]propanamide
CID 113134059
2-[acetyl-[2-(3-chlorophenyl)ethyl]amino]-N-(2,6-dimethylphenyl)acetamide
CID 113166924
3-(N-acetyl-2-chloroanilino)-N-[2-(cyclohexen-1-yl)ethyl]propanamide
CID 113127020
N-[2-(cyclohexen-1-yl)ethyl]-2-[(2,5-dichlorophenyl)sulfonyl-methylamino]acetamide
CID 17027739

Frequently Asked Questions

What is the IUPAC name of 2-[acetyl-[2-(3-chlorophenyl)ethyl]amino]-N-[2-(cyclohexen-1-yl)ethyl]acetamide?
The IUPAC name of 2-[acetyl-[2-(3-chlorophenyl)ethyl]amino]-N-[2-(cyclohexen-1-yl)ethyl]acetamide (CID 113166855) is 2-[acetyl-[2-(3-chlorophenyl)ethyl]amino]-N-[2-(cyclohexen-1-yl)ethyl]acetamide.
What is the SMILES notation for 2-[acetyl-[2-(3-chlorophenyl)ethyl]amino]-N-[2-(cyclohexen-1-yl)ethyl]acetamide?
The canonical SMILES for 2-[acetyl-[2-(3-chlorophenyl)ethyl]amino]-N-[2-(cyclohexen-1-yl)ethyl]acetamide is CC(=O)N(CCc1cccc(Cl)c1)CC(=O)NCCC1=CCCCC1.
What is the InChIKey of 2-[acetyl-[2-(3-chlorophenyl)ethyl]amino]-N-[2-(cyclohexen-1-yl)ethyl]acetamide?
The InChIKey is AXUWIUUDNCBYCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27ClN2O2/c1-16(24)23(13-11-18-8-5-9-19(21)14-18)15-20(25)22-12-10-17-6-3-2-4-7-17/h5-6,8-9,14H,2-4,7,10-13,15H2,1H3,(H,22,25).
What are the key properties of 2-[acetyl-[2-(3-chlorophenyl)ethyl]amino]-N-[2-(cyclohexen-1-yl)ethyl]acetamide?
2-[acetyl-[2-(3-chlorophenyl)ethyl]amino]-N-[2-(cyclohexen-1-yl)ethyl]acetamide has a molecular weight of 362.90 g/mol, XLogP of 3.74, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[acetyl-[2-(3-chlorophenyl)ethyl]amino]-N-[2-(cyclohexen-1-yl)ethyl]acetamide is sourced from PubChem (CID 113166855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).