N'-cycloheptyl-N-[(4-methylphenyl)methyl]propanediamide

C18H26N2O2 — CID 108945749

IUPACN'-cycloheptyl-N-[(4-methylphenyl)methyl]propanediamide
SMILESCc1ccc(CNC(=O)CC(=O)NC2CCCCCC2)cc1
InChIInChI=1S/C18H26N2O2/c1-14-8-10-15(11-9-14)13-19-17(21)12-18(22)20-16-6-4-2-3-5-7-16/h8-11,16H,2-7,12-13H2,1H3,(H,19,21)(H,20,22)
InChIKeyCVTANMCWMYACDP-UHFFFAOYSA-N
MW302.42 g/mol
LogP2.84
Rot. Bonds5

About N'-cycloheptyl-N-[(4-methylphenyl)methyl]propanediamide

N'-cycloheptyl-N-[(4-methylphenyl)methyl]propanediamide (PubChem CID 108945749) has the molecular formula C18H26N2O2 and a molecular weight of 302.42 g/mol. Its IUPAC name is N'-cycloheptyl-N-[(4-methylphenyl)methyl]propanediamide.

Molecular Properties

Compound NameN'-cycloheptyl-N-[(4-methylphenyl)methyl]propanediamide
PubChem CID108945749
Molecular FormulaC18H26N2O2
Molecular Weight302.42 g/mol
Exact Mass302.20
IUPAC NameN'-cycloheptyl-N-[(4-methylphenyl)methyl]propanediamide
SMILESCc1ccc(CNC(=O)CC(=O)NC2CCCCCC2)cc1
InChIInChI=1S/C18H26N2O2/c1-14-8-10-15(11-9-14)13-19-17(21)12-18(22)20-16-6-4-2-3-5-7-16/h8-11,16H,2-7,12-13H2,1H3,(H,19,21)(H,20,22)
InChIKeyCVTANMCWMYACDP-UHFFFAOYSA-N
XLogP2.84
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.42
LogP ≤ 52.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-benzyl-N'-cyclohexylpropanediamide
CID 108942512
2-(cyclohexylamino)-N-[(4-methylphenyl)methyl]acetamide
CID 108993564
N-[2-(cyclopentylamino)-2-oxoethyl]-2-(4-methylphenyl)acetamide
CID 112990904
3-N-cyclohexyl-1-N-[(4-methylphenyl)methyl]benzene-1,3-dicarboxamide
CID 109052147
1-N-cyclohexyl-4-N-[(4-methylphenyl)methyl]piperidine-1,4-dicarboxamide
CID 1083731
N-cyclopentyl-2-[(4-methylphenyl)methylamino]propanamide
CID 43083735
1-N-cyclohexyl-2-N-[(4-methylphenyl)methyl]pyrrolidine-1,2-dicarboxamide
CID 3219738
N-cycloheptyl-N'-cyclopentylpropanediamide
CID 108942189
N-cyclododecyl-2-(4-methylphenoxy)acetamide
CID 2788426
N-cyclohexyl-2-(2,4-dimethylphenyl)acetamide
CID 56922648
N-[2-(cyclopentylamino)-2-oxoethyl]-4-methylbenzamide
CID 1262280
N-cyclopropyl-3-[(4-methylphenyl)methylamino]propanamide
CID 55090993

Frequently Asked Questions

What is the IUPAC name of N'-cycloheptyl-N-[(4-methylphenyl)methyl]propanediamide?
The IUPAC name of N'-cycloheptyl-N-[(4-methylphenyl)methyl]propanediamide (CID 108945749) is N'-cycloheptyl-N-[(4-methylphenyl)methyl]propanediamide.
What is the SMILES notation for N'-cycloheptyl-N-[(4-methylphenyl)methyl]propanediamide?
The canonical SMILES for N'-cycloheptyl-N-[(4-methylphenyl)methyl]propanediamide is Cc1ccc(CNC(=O)CC(=O)NC2CCCCCC2)cc1.
What is the InChIKey of N'-cycloheptyl-N-[(4-methylphenyl)methyl]propanediamide?
The InChIKey is CVTANMCWMYACDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O2/c1-14-8-10-15(11-9-14)13-19-17(21)12-18(22)20-16-6-4-2-3-5-7-16/h8-11,16H,2-7,12-13H2,1H3,(H,19,21)(H,20,22).
What are the key properties of N'-cycloheptyl-N-[(4-methylphenyl)methyl]propanediamide?
N'-cycloheptyl-N-[(4-methylphenyl)methyl]propanediamide has a molecular weight of 302.42 g/mol, XLogP of 2.84, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-cycloheptyl-N-[(4-methylphenyl)methyl]propanediamide is sourced from PubChem (CID 108945749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).