N-[(4-cyanophenyl)methyl]-2-methoxy-2-methyl-N-propylpropanamide

C16H22N2O2 — CID 103028790

IUPACN-[(4-cyanophenyl)methyl]-2-methoxy-2-methyl-N-propylpropanamide
SMILESCCCN(Cc1ccc(C#N)cc1)C(=O)C(C)(C)OC
InChIInChI=1S/C16H22N2O2/c1-5-10-18(15(19)16(2,3)20-4)12-14-8-6-13(11-17)7-9-14/h6-9H,5,10,12H2,1-4H3
InChIKeyGBTSKMVMHGLHFN-UHFFFAOYSA-N
MW274.36 g/mol
LogP2.72
Rot. Bonds6

About N-[(4-cyanophenyl)methyl]-2-methoxy-2-methyl-N-propylpropanamide

N-[(4-cyanophenyl)methyl]-2-methoxy-2-methyl-N-propylpropanamide (PubChem CID 103028790) has the molecular formula C16H22N2O2 and a molecular weight of 274.36 g/mol. Its IUPAC name is N-[(4-cyanophenyl)methyl]-2-methoxy-2-methyl-N-propylpropanamide.

Molecular Properties

Compound NameN-[(4-cyanophenyl)methyl]-2-methoxy-2-methyl-N-propylpropanamide
PubChem CID103028790
Molecular FormulaC16H22N2O2
Molecular Weight274.36 g/mol
Exact Mass274.17
IUPAC NameN-[(4-cyanophenyl)methyl]-2-methoxy-2-methyl-N-propylpropanamide
SMILESCCCN(Cc1ccc(C#N)cc1)C(=O)C(C)(C)OC
InChIInChI=1S/C16H22N2O2/c1-5-10-18(15(19)16(2,3)20-4)12-14-8-6-13(11-17)7-9-14/h6-9H,5,10,12H2,1-4H3
InChIKeyGBTSKMVMHGLHFN-UHFFFAOYSA-N
XLogP2.72
TPSA53.33 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.36
LogP ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-[[9-(2-Methoxyacetyl)-2,9-diazaspiro[5.5]undecan-2-yl]methyl]benzonitrile
CID 3235290
N-benzyl-2-ethoxy-N-ethylacetamide
CID 2162886
2-methoxy-N,2-dimethyl-N-[(2,3,5-trifluorophenyl)methyl]propanamide
CID 121446750
US10927128, Example 93
CID 135374770
US10927128, Example 32
CID 135332705
US10927128, Example 82
CID 135374613
US10927128, Example 88
CID 135374642
US10927128, Example 77
CID 135374704
US10927128, Example 83
CID 135374720
US10927128, Example 81
CID 135374767
US10927128, Example 87
CID 135374793
US10927128, Example 74
CID 135374802

Frequently Asked Questions

What is the IUPAC name of N-[(4-cyanophenyl)methyl]-2-methoxy-2-methyl-N-propylpropanamide?
The IUPAC name of N-[(4-cyanophenyl)methyl]-2-methoxy-2-methyl-N-propylpropanamide (CID 103028790) is N-[(4-cyanophenyl)methyl]-2-methoxy-2-methyl-N-propylpropanamide.
What is the SMILES notation for N-[(4-cyanophenyl)methyl]-2-methoxy-2-methyl-N-propylpropanamide?
The canonical SMILES for N-[(4-cyanophenyl)methyl]-2-methoxy-2-methyl-N-propylpropanamide is CCCN(Cc1ccc(C#N)cc1)C(=O)C(C)(C)OC.
What is the InChIKey of N-[(4-cyanophenyl)methyl]-2-methoxy-2-methyl-N-propylpropanamide?
The InChIKey is GBTSKMVMHGLHFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O2/c1-5-10-18(15(19)16(2,3)20-4)12-14-8-6-13(11-17)7-9-14/h6-9H,5,10,12H2,1-4H3.
What are the key properties of N-[(4-cyanophenyl)methyl]-2-methoxy-2-methyl-N-propylpropanamide?
N-[(4-cyanophenyl)methyl]-2-methoxy-2-methyl-N-propylpropanamide has a molecular weight of 274.36 g/mol, XLogP of 2.72, 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-methoxy-2-methyl-N-propylpropanamide is sourced from PubChem (CID 103028790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).