N-[(4-cyanophenyl)methyl]-2-[(2-methylpropan-2-yl)oxy]-N-propylacetamide

C17H24N2O2 — CID 115949755

IUPACN-[(4-cyanophenyl)methyl]-2-[(2-methylpropan-2-yl)oxy]-N-propylacetamide
SMILESCCCN(Cc1ccc(C#N)cc1)C(=O)COC(C)(C)C
InChIInChI=1S/C17H24N2O2/c1-5-10-19(16(20)13-21-17(2,3)4)12-15-8-6-14(11-18)7-9-15/h6-9H,5,10,12-13H2,1-4H3
InChIKeySMXGWTXRQWSBFS-UHFFFAOYSA-N
MW288.39 g/mol
LogP3.11
Rot. Bonds6

About N-[(4-cyanophenyl)methyl]-2-[(2-methylpropan-2-yl)oxy]-N-propylacetamide

N-[(4-cyanophenyl)methyl]-2-[(2-methylpropan-2-yl)oxy]-N-propylacetamide (PubChem CID 115949755) has the molecular formula C17H24N2O2 and a molecular weight of 288.39 g/mol. Its IUPAC name is N-[(4-cyanophenyl)methyl]-2-[(2-methylpropan-2-yl)oxy]-N-propylacetamide.

Molecular Properties

Compound NameN-[(4-cyanophenyl)methyl]-2-[(2-methylpropan-2-yl)oxy]-N-propylacetamide
PubChem CID115949755
Molecular FormulaC17H24N2O2
Molecular Weight288.39 g/mol
Exact Mass288.18
IUPAC NameN-[(4-cyanophenyl)methyl]-2-[(2-methylpropan-2-yl)oxy]-N-propylacetamide
SMILESCCCN(Cc1ccc(C#N)cc1)C(=O)COC(C)(C)C
InChIInChI=1S/C17H24N2O2/c1-5-10-19(16(20)13-21-17(2,3)4)12-15-8-6-14(11-18)7-9-15/h6-9H,5,10,12-13H2,1-4H3
InChIKeySMXGWTXRQWSBFS-UHFFFAOYSA-N
XLogP3.11
TPSA53.33 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze N-[(4-cyanophenyl)methyl]-2-[(2-methylpropan-2-yl)oxy]-N-propylacetamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[(4-cyanophenyl)methyl]-2-[(2-methylpropan-2-yl)oxy]-N-propylacetamide?
The IUPAC name of N-[(4-cyanophenyl)methyl]-2-[(2-methylpropan-2-yl)oxy]-N-propylacetamide (CID 115949755) is N-[(4-cyanophenyl)methyl]-2-[(2-methylpropan-2-yl)oxy]-N-propylacetamide.
What is the SMILES notation for N-[(4-cyanophenyl)methyl]-2-[(2-methylpropan-2-yl)oxy]-N-propylacetamide?
The canonical SMILES for N-[(4-cyanophenyl)methyl]-2-[(2-methylpropan-2-yl)oxy]-N-propylacetamide is CCCN(Cc1ccc(C#N)cc1)C(=O)COC(C)(C)C.
What is the InChIKey of N-[(4-cyanophenyl)methyl]-2-[(2-methylpropan-2-yl)oxy]-N-propylacetamide?
The InChIKey is SMXGWTXRQWSBFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O2/c1-5-10-19(16(20)13-21-17(2,3)4)12-15-8-6-14(11-18)7-9-15/h6-9H,5,10,12-13H2,1-4H3.
What are the key properties of N-[(4-cyanophenyl)methyl]-2-[(2-methylpropan-2-yl)oxy]-N-propylacetamide?
N-[(4-cyanophenyl)methyl]-2-[(2-methylpropan-2-yl)oxy]-N-propylacetamide has a molecular weight of 288.39 g/mol, XLogP of 3.11, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-cyanophenyl)methyl]-2-[(2-methylpropan-2-yl)oxy]-N-propylacetamide is sourced from PubChem (CID 115949755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).