N-cyclopropyl-N'-(2,4-dimethylphenyl)propanediamide

C14H18N2O2 — CID 108941058

IUPACN-cyclopropyl-N'-(2,4-dimethylphenyl)propanediamide
SMILESCc1ccc(NC(=O)CC(=O)NC2CC2)c(C)c1
InChIInChI=1S/C14H18N2O2/c1-9-3-6-12(10(2)7-9)16-14(18)8-13(17)15-11-4-5-11/h3,6-7,11H,4-5,8H2,1-2H3,(H,15,17)(H,16,18)
InChIKeyPAOWVOZKXFZAHD-UHFFFAOYSA-N
MW246.31 g/mol
LogP1.91
Rot. Bonds4

About N-cyclopropyl-N'-(2,4-dimethylphenyl)propanediamide

N-cyclopropyl-N'-(2,4-dimethylphenyl)propanediamide (PubChem CID 108941058) has the molecular formula C14H18N2O2 and a molecular weight of 246.31 g/mol. Its IUPAC name is N-cyclopropyl-N'-(2,4-dimethylphenyl)propanediamide.

Molecular Properties

Compound NameN-cyclopropyl-N'-(2,4-dimethylphenyl)propanediamide
PubChem CID108941058
Molecular FormulaC14H18N2O2
Molecular Weight246.31 g/mol
Exact Mass246.14
IUPAC NameN-cyclopropyl-N'-(2,4-dimethylphenyl)propanediamide
SMILESCc1ccc(NC(=O)CC(=O)NC2CC2)c(C)c1
InChIInChI=1S/C14H18N2O2/c1-9-3-6-12(10(2)7-9)16-14(18)8-13(17)15-11-4-5-11/h3,6-7,11H,4-5,8H2,1-2H3,(H,15,17)(H,16,18)
InChIKeyPAOWVOZKXFZAHD-UHFFFAOYSA-N
XLogP1.91
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-cyclopropyl-N'-(2,4-dimethylphenyl)propanediamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N'-(2,4-dimethylphenyl)-N-(1,1-dioxothiolan-3-yl)propanediamide
CID 108949072
2-(cyclohexylcarbamoylamino)-N-(2,4-dimethylphenyl)acetamide
CID 112996389
N-cyclopropyl-2-[4-[2-[(2,4-dimethylphenyl)carbamoylamino]-2-oxoethyl]piperazin-1-yl]acetamide
CID 9438309
2-(cyclopropylmethylamino)-N-(2,4-dimethylphenyl)acetamide
CID 54924969
[2-(2,4-dimethylanilino)-2-oxoethyl] 4-(cyclohexylamino)-4-oxobutanoate
CID 9067614
N-cyclohexyl-N'-(2-methylphenyl)propanediamide
CID 108942579
N'-(2-bromophenyl)-N-(2,4-dimethylphenyl)propanediamide
CID 108953507
2-cyclopentylsulfanyl-N-(2,4-dimethylphenyl)acetamide
CID 6456804
N-(2,4-dimethylphenyl)cyclopropanecarboxamide
CID 5066654
ethyl 4-[(2,4-dimethylphenyl)carbamoylamino]piperidine-1-carboxylate
CID 3865225
2-[[2-(4-chloro-2-methylanilino)-2-oxoethyl]-methylamino]-N-cyclopropylacetamide
CID 9053133
1-(2,4-dimethylphenyl)-3-(4-hydroxycyclohexyl)thiourea
CID 23932184

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-N'-(2,4-dimethylphenyl)propanediamide?
The IUPAC name of N-cyclopropyl-N'-(2,4-dimethylphenyl)propanediamide (CID 108941058) is N-cyclopropyl-N'-(2,4-dimethylphenyl)propanediamide.
What is the SMILES notation for N-cyclopropyl-N'-(2,4-dimethylphenyl)propanediamide?
The canonical SMILES for N-cyclopropyl-N'-(2,4-dimethylphenyl)propanediamide is Cc1ccc(NC(=O)CC(=O)NC2CC2)c(C)c1.
What is the InChIKey of N-cyclopropyl-N'-(2,4-dimethylphenyl)propanediamide?
The InChIKey is PAOWVOZKXFZAHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O2/c1-9-3-6-12(10(2)7-9)16-14(18)8-13(17)15-11-4-5-11/h3,6-7,11H,4-5,8H2,1-2H3,(H,15,17)(H,16,18).
What are the key properties of N-cyclopropyl-N'-(2,4-dimethylphenyl)propanediamide?
N-cyclopropyl-N'-(2,4-dimethylphenyl)propanediamide has a molecular weight of 246.31 g/mol, XLogP of 1.91, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-N'-(2,4-dimethylphenyl)propanediamide is sourced from PubChem (CID 108941058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).