N-cyclopropyl-N'-(2,5-dimethoxyphenyl)propanediamide

C14H18N2O4 — CID 108941097

IUPACN-cyclopropyl-N'-(2,5-dimethoxyphenyl)propanediamide
SMILESCOc1ccc(OC)c(NC(=O)CC(=O)NC2CC2)c1
InChIInChI=1S/C14H18N2O4/c1-19-10-5-6-12(20-2)11(7-10)16-14(18)8-13(17)15-9-3-4-9/h5-7,9H,3-4,8H2,1-2H3,(H,15,17)(H,16,18)
InChIKeyGXYJXVHQXBAQFM-UHFFFAOYSA-N
MW278.31 g/mol
LogP1.31
Rot. Bonds6

About N-cyclopropyl-N'-(2,5-dimethoxyphenyl)propanediamide

N-cyclopropyl-N'-(2,5-dimethoxyphenyl)propanediamide (PubChem CID 108941097) has the molecular formula C14H18N2O4 and a molecular weight of 278.31 g/mol. Its IUPAC name is N-cyclopropyl-N'-(2,5-dimethoxyphenyl)propanediamide.

Molecular Properties

Compound NameN-cyclopropyl-N'-(2,5-dimethoxyphenyl)propanediamide
PubChem CID108941097
Molecular FormulaC14H18N2O4
Molecular Weight278.31 g/mol
Exact Mass278.13
IUPAC NameN-cyclopropyl-N'-(2,5-dimethoxyphenyl)propanediamide
SMILESCOc1ccc(OC)c(NC(=O)CC(=O)NC2CC2)c1
InChIInChI=1S/C14H18N2O4/c1-19-10-5-6-12(20-2)11(7-10)16-14(18)8-13(17)15-9-3-4-9/h5-7,9H,3-4,8H2,1-2H3,(H,15,17)(H,16,18)
InChIKeyGXYJXVHQXBAQFM-UHFFFAOYSA-N
XLogP1.31
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.31
LogP ≤ 51.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N'-(2,5-dimethoxyphenyl)-N-(2-methoxy-5-methylphenyl)propanediamide
CID 108955778
N,N'-bis(2,5-dimethoxyphenyl)butanediamide
CID 1011774
1-cycloheptyl-3-(2,5-dimethoxyphenyl)urea
CID 6470715
ethyl 4-[[3-(2,4-dimethoxyanilino)-3-oxopropanoyl]amino]piperidine-1-carboxylate
CID 108950268
N'-(2,5-dimethoxyphenyl)-N-propylpropanediamide
CID 108940714
ethyl 3-(2,5-dimethoxyanilino)-3-oxopropanoate
CID 12866654
2-[2-(2,5-dimethoxyanilino)-2-oxoethyl]sulfanyl-N-(2,5-dimethoxyphenyl)acetamide
CID 35495479
3-[acetyl(cyclopentyl)amino]-N-(2,5-dimethoxyphenyl)propanamide
CID 113116443
N-cyclopropyl-2-[(5-methoxy-2-propan-2-yloxyphenyl)carbamoylamino]acetamide
CID 56803361
N-cycloheptyl-2-(2,5-dimethoxyphenyl)acetamide
CID 7580886
N-(4-aminocyclohexyl)-2-(2,5-dimethoxyphenyl)acetamide
CID 119476462
N'-butan-2-yl-N-(2,5-dimethoxyphenyl)propanediamide
CID 108941866

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-N'-(2,5-dimethoxyphenyl)propanediamide?
The IUPAC name of N-cyclopropyl-N'-(2,5-dimethoxyphenyl)propanediamide (CID 108941097) is N-cyclopropyl-N'-(2,5-dimethoxyphenyl)propanediamide.
What is the SMILES notation for N-cyclopropyl-N'-(2,5-dimethoxyphenyl)propanediamide?
The canonical SMILES for N-cyclopropyl-N'-(2,5-dimethoxyphenyl)propanediamide is COc1ccc(OC)c(NC(=O)CC(=O)NC2CC2)c1.
What is the InChIKey of N-cyclopropyl-N'-(2,5-dimethoxyphenyl)propanediamide?
The InChIKey is GXYJXVHQXBAQFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O4/c1-19-10-5-6-12(20-2)11(7-10)16-14(18)8-13(17)15-9-3-4-9/h5-7,9H,3-4,8H2,1-2H3,(H,15,17)(H,16,18).
What are the key properties of N-cyclopropyl-N'-(2,5-dimethoxyphenyl)propanediamide?
N-cyclopropyl-N'-(2,5-dimethoxyphenyl)propanediamide has a molecular weight of 278.31 g/mol, XLogP of 1.31, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-N'-(2,5-dimethoxyphenyl)propanediamide is sourced from PubChem (CID 108941097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).