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

C18H24N2O2 — CID 56748735

IUPACN'-[1-(cyclohexen-1-yl)ethyl]-N-(4-methylphenyl)propanediamide
SMILESCc1ccc(NC(=O)CC(=O)NC(C)C2=CCCCC2)cc1
InChIInChI=1S/C18H24N2O2/c1-13-8-10-16(11-9-13)20-18(22)12-17(21)19-14(2)15-6-4-3-5-7-15/h6,8-11,14H,3-5,7,12H2,1-2H3,(H,19,21)(H,20,22)
InChIKeyIIDMUQOUZOGPFK-UHFFFAOYSA-N
MW300.40 g/mol
LogP3.33
Rot. Bonds5

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

N'-[1-(cyclohexen-1-yl)ethyl]-N-(4-methylphenyl)propanediamide (PubChem CID 56748735) has the molecular formula C18H24N2O2 and a molecular weight of 300.40 g/mol. Its IUPAC name is N'-[1-(cyclohexen-1-yl)ethyl]-N-(4-methylphenyl)propanediamide.

Molecular Properties

Compound NameN'-[1-(cyclohexen-1-yl)ethyl]-N-(4-methylphenyl)propanediamide
PubChem CID56748735
Molecular FormulaC18H24N2O2
Molecular Weight300.40 g/mol
Exact Mass300.18
IUPAC NameN'-[1-(cyclohexen-1-yl)ethyl]-N-(4-methylphenyl)propanediamide
SMILESCc1ccc(NC(=O)CC(=O)NC(C)C2=CCCCC2)cc1
InChIInChI=1S/C18H24N2O2/c1-13-8-10-16(11-9-13)20-18(22)12-17(21)19-14(2)15-6-4-3-5-7-15/h6,8-11,14H,3-5,7,12H2,1-2H3,(H,19,21)(H,20,22)
InChIKeyIIDMUQOUZOGPFK-UHFFFAOYSA-N
XLogP3.33
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.40
LogP ≤ 53.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-[[(1S)-1-(cyclohexen-1-yl)ethyl]amino]-4-oxobutanoic acid
CID 126444702
1-[1-(cyclohexen-1-yl)ethyl]-3-[4-(2-methylimidazol-1-yl)phenyl]urea
CID 72912237
1-[(1S)-1-(cyclohexen-1-yl)ethyl]-3-[4-(2-methylimidazol-1-yl)phenyl]urea
CID 97453233
N-[1-(cyclohexen-1-yl)ethyl]-2-(2-methyl-1,3-thiazol-4-yl)acetamide
CID 70725515
N-[1-(cyclohexen-1-yl)ethyl]-2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetamide
CID 131917992
N-[(1R)-1-(cyclohexen-1-yl)ethyl]-4-methylbenzenesulfonamide
CID 57149515
N-[1-(cyclohexen-1-yl)ethyl]thiophene-3-carboxamide
CID 131890483
2-[2-(cyclohexen-1-yl)ethylamino]-N-(4-methylphenyl)propanamide
CID 60638654
3-[1-(cyclohexen-1-yl)ethylcarbamoylamino]propanoic acid
CID 131916982
N-(4-fluorophenyl)-N'-propan-2-ylpropanediamide
CID 108940880
N'-[(1S)-3-hydroxy-1-(4-methylphenyl)propyl]-N-(4-methylphenyl)propanediamide
CID 95128017
1-[1-(cyclohexen-1-yl)ethyl]-3-(1-ethyl-3-methylpyrazol-4-yl)urea
CID 72837183

Frequently Asked Questions

What is the IUPAC name of N'-[1-(cyclohexen-1-yl)ethyl]-N-(4-methylphenyl)propanediamide?
The IUPAC name of N'-[1-(cyclohexen-1-yl)ethyl]-N-(4-methylphenyl)propanediamide (CID 56748735) is N'-[1-(cyclohexen-1-yl)ethyl]-N-(4-methylphenyl)propanediamide.
What is the SMILES notation for N'-[1-(cyclohexen-1-yl)ethyl]-N-(4-methylphenyl)propanediamide?
The canonical SMILES for N'-[1-(cyclohexen-1-yl)ethyl]-N-(4-methylphenyl)propanediamide is Cc1ccc(NC(=O)CC(=O)NC(C)C2=CCCCC2)cc1.
What is the InChIKey of N'-[1-(cyclohexen-1-yl)ethyl]-N-(4-methylphenyl)propanediamide?
The InChIKey is IIDMUQOUZOGPFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O2/c1-13-8-10-16(11-9-13)20-18(22)12-17(21)19-14(2)15-6-4-3-5-7-15/h6,8-11,14H,3-5,7,12H2,1-2H3,(H,19,21)(H,20,22).
What are the key properties of N'-[1-(cyclohexen-1-yl)ethyl]-N-(4-methylphenyl)propanediamide?
N'-[1-(cyclohexen-1-yl)ethyl]-N-(4-methylphenyl)propanediamide has a molecular weight of 300.40 g/mol, XLogP of 3.33, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[1-(cyclohexen-1-yl)ethyl]-N-(4-methylphenyl)propanediamide is sourced from PubChem (CID 56748735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).