2-[acetyl-[2-(cyclohexen-1-yl)ethyl]amino]-N-[4-(diethylamino)-2-methylphenyl]acetamide

C23H35N3O2 — CID 113159780

IUPAC2-[acetyl-[2-(cyclohexen-1-yl)ethyl]amino]-N-[4-(diethylamino)-2-methylphenyl]acetamide
SMILESCCN(CC)c1ccc(NC(=O)CN(CCC2=CCCCC2)C(C)=O)c(C)c1
InChIInChI=1S/C23H35N3O2/c1-5-25(6-2)21-12-13-22(18(3)16-21)24-23(28)17-26(19(4)27)15-14-20-10-8-7-9-11-20/h10,12-13,16H,5-9,11,14-15,17H2,1-4H3,(H,24,28)
InChIKeyZFKLFTUOHZVOKC-UHFFFAOYSA-N
MW385.55 g/mol
LogP4.52
Rot. Bonds9

About 2-[acetyl-[2-(cyclohexen-1-yl)ethyl]amino]-N-[4-(diethylamino)-2-methylphenyl]acetamide

2-[acetyl-[2-(cyclohexen-1-yl)ethyl]amino]-N-[4-(diethylamino)-2-methylphenyl]acetamide (PubChem CID 113159780) has the molecular formula C23H35N3O2 and a molecular weight of 385.55 g/mol. Its IUPAC name is 2-[acetyl-[2-(cyclohexen-1-yl)ethyl]amino]-N-[4-(diethylamino)-2-methylphenyl]acetamide.

Molecular Properties

Compound Name2-[acetyl-[2-(cyclohexen-1-yl)ethyl]amino]-N-[4-(diethylamino)-2-methylphenyl]acetamide
PubChem CID113159780
Molecular FormulaC23H35N3O2
Molecular Weight385.55 g/mol
Exact Mass385.27
IUPAC Name2-[acetyl-[2-(cyclohexen-1-yl)ethyl]amino]-N-[4-(diethylamino)-2-methylphenyl]acetamide
SMILESCCN(CC)c1ccc(NC(=O)CN(CCC2=CCCCC2)C(C)=O)c(C)c1
InChIInChI=1S/C23H35N3O2/c1-5-25(6-2)21-12-13-22(18(3)16-21)24-23(28)17-26(19(4)27)15-14-20-10-8-7-9-11-20/h10,12-13,16H,5-9,11,14-15,17H2,1-4H3,(H,24,28)
InChIKeyZFKLFTUOHZVOKC-UHFFFAOYSA-N
XLogP4.52
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.55
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N-[2-(cyclohexen-1-yl)ethyl]-N'-[4-(diethylamino)-2-methylphenyl]propanediamide
CID 108943043
3-[2-(cyclohexen-1-yl)ethylamino]-N-[4-(diethylamino)-2-methylphenyl]propanamide
CID 109014975
2-[acetyl-[2-(cyclohexen-1-yl)ethyl]amino]-N-[4-(dimethylamino)phenyl]acetamide
CID 113159748
N-[2-(cyclohexen-1-yl)ethyl]-2-[4-(diethylamino)-2-methylanilino]acetamide
CID 108993988
2-[acetyl-[2-(cyclohexen-1-yl)ethyl]amino]-N-(4-chlorophenyl)acetamide
CID 113159715
2-[acetyl(oxolan-2-ylmethyl)amino]-N-[4-(diethylamino)-2-methylphenyl]acetamide
CID 113160372
2-[acetyl-[2-(cyclohexen-1-yl)ethyl]amino]-N-butylacetamide
CID 113159604
2-(N-acetyl-4-ethylanilino)-N-[4-(diethylamino)-2-methylphenyl]acetamide
CID 113169389
3-[acetyl(cyclohexyl)amino]-N-[4-(diethylamino)-2-methylphenyl]propanamide
CID 113116691
N-[4-(diethylamino)-2-methylphenyl]-N',N'-diethylpropanediamide
CID 108951161
N-[4-(diethylamino)-2-methylphenyl]butanamide
CID 837078
2-(cyclopropylamino)-N-[4-(diethylamino)-2-methylphenyl]acetamide
CID 108992892

Frequently Asked Questions

What is the IUPAC name of 2-[acetyl-[2-(cyclohexen-1-yl)ethyl]amino]-N-[4-(diethylamino)-2-methylphenyl]acetamide?
The IUPAC name of 2-[acetyl-[2-(cyclohexen-1-yl)ethyl]amino]-N-[4-(diethylamino)-2-methylphenyl]acetamide (CID 113159780) is 2-[acetyl-[2-(cyclohexen-1-yl)ethyl]amino]-N-[4-(diethylamino)-2-methylphenyl]acetamide.
What is the SMILES notation for 2-[acetyl-[2-(cyclohexen-1-yl)ethyl]amino]-N-[4-(diethylamino)-2-methylphenyl]acetamide?
The canonical SMILES for 2-[acetyl-[2-(cyclohexen-1-yl)ethyl]amino]-N-[4-(diethylamino)-2-methylphenyl]acetamide is CCN(CC)c1ccc(NC(=O)CN(CCC2=CCCCC2)C(C)=O)c(C)c1.
What is the InChIKey of 2-[acetyl-[2-(cyclohexen-1-yl)ethyl]amino]-N-[4-(diethylamino)-2-methylphenyl]acetamide?
The InChIKey is ZFKLFTUOHZVOKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H35N3O2/c1-5-25(6-2)21-12-13-22(18(3)16-21)24-23(28)17-26(19(4)27)15-14-20-10-8-7-9-11-20/h10,12-13,16H,5-9,11,14-15,17H2,1-4H3,(H,24,28).
What are the key properties of 2-[acetyl-[2-(cyclohexen-1-yl)ethyl]amino]-N-[4-(diethylamino)-2-methylphenyl]acetamide?
2-[acetyl-[2-(cyclohexen-1-yl)ethyl]amino]-N-[4-(diethylamino)-2-methylphenyl]acetamide has a molecular weight of 385.55 g/mol, XLogP of 4.52, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[acetyl-[2-(cyclohexen-1-yl)ethyl]amino]-N-[4-(diethylamino)-2-methylphenyl]acetamide is sourced from PubChem (CID 113159780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).