N-[2-(cyclohexen-1-yl)ethyl]-N'-[4-(diethylamino)-2-methylphenyl]propanediamide

C22H33N3O2 — CID 108943043

IUPACN-[2-(cyclohexen-1-yl)ethyl]-N'-[4-(diethylamino)-2-methylphenyl]propanediamide
SMILESCCN(CC)c1ccc(NC(=O)CC(=O)NCCC2=CCCCC2)c(C)c1
InChIInChI=1S/C22H33N3O2/c1-4-25(5-2)19-11-12-20(17(3)15-19)24-22(27)16-21(26)23-14-13-18-9-7-6-8-10-18/h9,11-12,15H,4-8,10,13-14,16H2,1-3H3,(H,23,26)(H,24,27)
InChIKeyOIJVWPFVOGEMCH-UHFFFAOYSA-N
MW371.53 g/mol
LogP4.18
Rot. Bonds9

About N-[2-(cyclohexen-1-yl)ethyl]-N'-[4-(diethylamino)-2-methylphenyl]propanediamide

N-[2-(cyclohexen-1-yl)ethyl]-N'-[4-(diethylamino)-2-methylphenyl]propanediamide (PubChem CID 108943043) has the molecular formula C22H33N3O2 and a molecular weight of 371.53 g/mol. Its IUPAC name is N-[2-(cyclohexen-1-yl)ethyl]-N'-[4-(diethylamino)-2-methylphenyl]propanediamide.

Molecular Properties

Compound NameN-[2-(cyclohexen-1-yl)ethyl]-N'-[4-(diethylamino)-2-methylphenyl]propanediamide
PubChem CID108943043
Molecular FormulaC22H33N3O2
Molecular Weight371.53 g/mol
Exact Mass371.26
IUPAC NameN-[2-(cyclohexen-1-yl)ethyl]-N'-[4-(diethylamino)-2-methylphenyl]propanediamide
SMILESCCN(CC)c1ccc(NC(=O)CC(=O)NCCC2=CCCCC2)c(C)c1
InChIInChI=1S/C22H33N3O2/c1-4-25(5-2)19-11-12-20(17(3)15-19)24-22(27)16-21(26)23-14-13-18-9-7-6-8-10-18/h9,11-12,15H,4-8,10,13-14,16H2,1-3H3,(H,23,26)(H,24,27)
InChIKeyOIJVWPFVOGEMCH-UHFFFAOYSA-N
XLogP4.18
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.53
LogP ≤ 54.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(cyclohexen-1-yl)ethyl]-2-[4-(diethylamino)-2-methylanilino]acetamide
CID 108993988
3-[2-(cyclohexen-1-yl)ethylamino]-N-[4-(diethylamino)-2-methylphenyl]propanamide
CID 109014975
2-[acetyl-[2-(cyclohexen-1-yl)ethyl]amino]-N-[4-(diethylamino)-2-methylphenyl]acetamide
CID 113159780
1-N-[2-(cyclohexen-1-yl)ethyl]-1-N'-[4-(diethylamino)phenyl]cyclopropane-1,1-dicarboxamide
CID 108972633
2-(N-acetyl-3,4-dimethylanilino)-N-[2-(cyclohexen-1-yl)ethyl]acetamide
CID 113168247
N-[2-(cyclohexen-1-yl)ethyl]-N'-(4-ethylphenyl)propanediamide
CID 108942962
N-[2-(cyclohexen-1-yl)ethyl]-N'-(5-methyl-1,2-oxazol-3-yl)propanediamide
CID 108943052
N-[2-(cyclohexen-1-yl)ethyl]-3-(N-ethylanilino)propanamide
CID 109014714
N-[2-(cyclohexen-1-yl)ethyl]-2-[[2-(2-methylanilino)-2-oxoethyl]-propylamino]acetamide
CID 8810032
methyl 2-[[3-[2-(cyclohexen-1-yl)ethylamino]-3-oxopropanoyl]amino]benzoate
CID 108943004
1-N-[2-(cyclohexen-1-yl)ethyl]-1-N'-(2,4-dimethylphenyl)cyclopropane-1,1-dicarboxamide
CID 108972581
N-[4-(diethylamino)-2-methylphenyl]-N',N'-diethylpropanediamide
CID 108951161

Frequently Asked Questions

What is the IUPAC name of N-[2-(cyclohexen-1-yl)ethyl]-N'-[4-(diethylamino)-2-methylphenyl]propanediamide?
The IUPAC name of N-[2-(cyclohexen-1-yl)ethyl]-N'-[4-(diethylamino)-2-methylphenyl]propanediamide (CID 108943043) is N-[2-(cyclohexen-1-yl)ethyl]-N'-[4-(diethylamino)-2-methylphenyl]propanediamide.
What is the SMILES notation for N-[2-(cyclohexen-1-yl)ethyl]-N'-[4-(diethylamino)-2-methylphenyl]propanediamide?
The canonical SMILES for N-[2-(cyclohexen-1-yl)ethyl]-N'-[4-(diethylamino)-2-methylphenyl]propanediamide is CCN(CC)c1ccc(NC(=O)CC(=O)NCCC2=CCCCC2)c(C)c1.
What is the InChIKey of N-[2-(cyclohexen-1-yl)ethyl]-N'-[4-(diethylamino)-2-methylphenyl]propanediamide?
The InChIKey is OIJVWPFVOGEMCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H33N3O2/c1-4-25(5-2)19-11-12-20(17(3)15-19)24-22(27)16-21(26)23-14-13-18-9-7-6-8-10-18/h9,11-12,15H,4-8,10,13-14,16H2,1-3H3,(H,23,26)(H,24,27).
What are the key properties of N-[2-(cyclohexen-1-yl)ethyl]-N'-[4-(diethylamino)-2-methylphenyl]propanediamide?
N-[2-(cyclohexen-1-yl)ethyl]-N'-[4-(diethylamino)-2-methylphenyl]propanediamide has a molecular weight of 371.53 g/mol, XLogP of 4.18, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(cyclohexen-1-yl)ethyl]-N'-[4-(diethylamino)-2-methylphenyl]propanediamide is sourced from PubChem (CID 108943043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).