N-cyclohexyl-N'-(4-propan-2-yloxyphenyl)propanediamide

C18H26N2O3 — CID 108942623

IUPACN-cyclohexyl-N'-(4-propan-2-yloxyphenyl)propanediamide
SMILESCC(C)Oc1ccc(NC(=O)CC(=O)NC2CCCCC2)cc1
InChIInChI=1S/C18H26N2O3/c1-13(2)23-16-10-8-15(9-11-16)20-18(22)12-17(21)19-14-6-4-3-5-7-14/h8-11,13-14H,3-7,12H2,1-2H3,(H,19,21)(H,20,22)
InChIKeyHGIARFOKRLCITE-UHFFFAOYSA-N
MW318.42 g/mol
LogP3.25
Rot. Bonds6

About N-cyclohexyl-N'-(4-propan-2-yloxyphenyl)propanediamide

N-cyclohexyl-N'-(4-propan-2-yloxyphenyl)propanediamide (PubChem CID 108942623) has the molecular formula C18H26N2O3 and a molecular weight of 318.42 g/mol. Its IUPAC name is N-cyclohexyl-N'-(4-propan-2-yloxyphenyl)propanediamide.

Molecular Properties

Compound NameN-cyclohexyl-N'-(4-propan-2-yloxyphenyl)propanediamide
PubChem CID108942623
Molecular FormulaC18H26N2O3
Molecular Weight318.42 g/mol
Exact Mass318.19
IUPAC NameN-cyclohexyl-N'-(4-propan-2-yloxyphenyl)propanediamide
SMILESCC(C)Oc1ccc(NC(=O)CC(=O)NC2CCCCC2)cc1
InChIInChI=1S/C18H26N2O3/c1-13(2)23-16-10-8-15(9-11-16)20-18(22)12-17(21)19-14-6-4-3-5-7-14/h8-11,13-14H,3-7,12H2,1-2H3,(H,19,21)(H,20,22)
InChIKeyHGIARFOKRLCITE-UHFFFAOYSA-N
XLogP3.25
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.42
LogP ≤ 53.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-cyclopentyl-N'-(4-propan-2-yloxyphenyl)propanediamide
CID 108942248
N-cycloheptyl-N'-(4-propan-2-yloxyphenyl)oxamide
CID 108986381
1-N-cyclohexyl-1-N'-(4-propan-2-yloxyphenyl)cyclopropane-1,1-dicarboxamide
CID 108972257
methyl 4-[[3-(cyclohexylamino)-3-oxopropanoyl]amino]benzoate
CID 108942635
N-cycloheptyl-N'-(4-ethylphenyl)propanediamide
CID 108951571
3-[acetyl(cyclohexyl)amino]-N-(4-propan-2-yloxyphenyl)propanamide
CID 113116640
N'-(4-chlorophenyl)-N-cyclohexylpropanediamide
CID 108942605
N'-(4-bromophenyl)-N-cyclopentylpropanediamide
CID 108942239
2-chloro-N-cyclohexyl-5-[[2-(4-propan-2-yloxyanilino)acetyl]amino]benzamide
CID 54822256
3-oxo-N-(4-propan-2-yloxyphenyl)butanamide
CID 28969935
N-cyclopentyl-N'-(2-propan-2-yloxyphenyl)propanediamide
CID 108942247
N-cyclohexyl-2-[(4-propan-2-yloxyphenyl)sulfonylamino]acetamide
CID 110285141

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-N'-(4-propan-2-yloxyphenyl)propanediamide?
The IUPAC name of N-cyclohexyl-N'-(4-propan-2-yloxyphenyl)propanediamide (CID 108942623) is N-cyclohexyl-N'-(4-propan-2-yloxyphenyl)propanediamide.
What is the SMILES notation for N-cyclohexyl-N'-(4-propan-2-yloxyphenyl)propanediamide?
The canonical SMILES for N-cyclohexyl-N'-(4-propan-2-yloxyphenyl)propanediamide is CC(C)Oc1ccc(NC(=O)CC(=O)NC2CCCCC2)cc1.
What is the InChIKey of N-cyclohexyl-N'-(4-propan-2-yloxyphenyl)propanediamide?
The InChIKey is HGIARFOKRLCITE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O3/c1-13(2)23-16-10-8-15(9-11-16)20-18(22)12-17(21)19-14-6-4-3-5-7-14/h8-11,13-14H,3-7,12H2,1-2H3,(H,19,21)(H,20,22).
What are the key properties of N-cyclohexyl-N'-(4-propan-2-yloxyphenyl)propanediamide?
N-cyclohexyl-N'-(4-propan-2-yloxyphenyl)propanediamide has a molecular weight of 318.42 g/mol, XLogP of 3.25, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-N'-(4-propan-2-yloxyphenyl)propanediamide is sourced from PubChem (CID 108942623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).