2-(4-cyanophenyl)-N-ethyl-N-propylacetamide

C14H18N2O — CID 62404728

IUPAC2-(4-cyanophenyl)-N-ethyl-N-propylacetamide
SMILESCCCN(CC)C(=O)Cc1ccc(C#N)cc1
InChIInChI=1S/C14H18N2O/c1-3-9-16(4-2)14(17)10-12-5-7-13(11-15)8-6-12/h5-8H,3-4,9-10H2,1-2H3
InChIKeyCPDUAAGCLWKJBG-UHFFFAOYSA-N
MW230.31 g/mol
LogP2.36
Rot. Bonds5

About 2-(4-cyanophenyl)-N-ethyl-N-propylacetamide

2-(4-cyanophenyl)-N-ethyl-N-propylacetamide (PubChem CID 62404728) has the molecular formula C14H18N2O and a molecular weight of 230.31 g/mol. Its IUPAC name is 2-(4-cyanophenyl)-N-ethyl-N-propylacetamide.

Molecular Properties

Compound Name2-(4-cyanophenyl)-N-ethyl-N-propylacetamide
PubChem CID62404728
Molecular FormulaC14H18N2O
Molecular Weight230.31 g/mol
Exact Mass230.14
IUPAC Name2-(4-cyanophenyl)-N-ethyl-N-propylacetamide
SMILESCCCN(CC)C(=O)Cc1ccc(C#N)cc1
InChIInChI=1S/C14H18N2O/c1-3-9-16(4-2)14(17)10-12-5-7-13(11-15)8-6-12/h5-8H,3-4,9-10H2,1-2H3
InChIKeyCPDUAAGCLWKJBG-UHFFFAOYSA-N
XLogP2.36
TPSA44.10 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 52.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-cyanophenyl)-N-ethyl-N-(2-ethylbutyl)acetamide
CID 62403845
2-(4-cyanophenyl)-N-ethyl-N-[2-(ethylamino)-2-oxoethyl]acetamide
CID 62404901
N-[(4-cyanophenyl)methyl]-3-oxo-N-propylbutanamide
CID 54876667
2-(4-cyanophenyl)-N-methyl-N-(2-methylbutan-2-yl)acetamide
CID 63957387
N-[(4-cyanophenyl)methyl]-2-[(2-methylpropan-2-yl)oxy]-N-propylacetamide
CID 115949755
2-(4-cyanophenyl)-N-(2-methoxyethyl)-N-prop-2-enylacetamide
CID 103338978
N-[(4-cyanophenyl)methyl]-N-propylbut-2-enamide
CID 112725777
2-[[2-(4-cyanophenyl)acetyl]amino]-N,N-diethylpropanamide
CID 115599662
2-(4-cyanophenyl)-N-ethyl-N-(2-methylphenyl)acetamide
CID 62404725
N-[(4-cyanophenyl)methyl]-2-(1-hydroxycyclopentyl)-N-propylacetamide
CID 111446250
4-cyano-N-(2-hydroxyethyl)-N-propylbenzamide
CID 60655710
2-amino-N-[(4-cyanophenyl)methyl]-2-methyl-N-propylbutanamide
CID 79805228

Frequently Asked Questions

What is the IUPAC name of 2-(4-cyanophenyl)-N-ethyl-N-propylacetamide?
The IUPAC name of 2-(4-cyanophenyl)-N-ethyl-N-propylacetamide (CID 62404728) is 2-(4-cyanophenyl)-N-ethyl-N-propylacetamide.
What is the SMILES notation for 2-(4-cyanophenyl)-N-ethyl-N-propylacetamide?
The canonical SMILES for 2-(4-cyanophenyl)-N-ethyl-N-propylacetamide is CCCN(CC)C(=O)Cc1ccc(C#N)cc1.
What is the InChIKey of 2-(4-cyanophenyl)-N-ethyl-N-propylacetamide?
The InChIKey is CPDUAAGCLWKJBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O/c1-3-9-16(4-2)14(17)10-12-5-7-13(11-15)8-6-12/h5-8H,3-4,9-10H2,1-2H3.
What are the key properties of 2-(4-cyanophenyl)-N-ethyl-N-propylacetamide?
2-(4-cyanophenyl)-N-ethyl-N-propylacetamide has a molecular weight of 230.31 g/mol, XLogP of 2.36, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-cyanophenyl)-N-ethyl-N-propylacetamide is sourced from PubChem (CID 62404728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).