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

2-amino-N-[(4-cyanophenyl)methyl]-2-methyl-N-propylbutanamide
CID 79805228
N-[(4-cyanophenyl)methyl]-2-[(2-methylpropan-2-yl)oxy]-N-propylacetamide
CID 115949755
N-[(4-cyanophenyl)methyl]-3-oxo-N-propylbutanamide
CID 54876667
N-[(4-cyanophenyl)methyl]-N-propylbut-2-enamide
CID 112725777
N-[(3-aminophenyl)methyl]-2-methoxy-2-methyl-N-propylpropanamide
CID 103017662
4-amino-N-[(4-cyanophenyl)methyl]-3-methoxy-N-propylbutanamide
CID 103155115
(2S,3S)-2-amino-N-[(4-cyanophenyl)methyl]-3-methyl-N-propylpentanamide
CID 61163539
1-amino-N-[(4-cyanophenyl)methyl]-N-propylcyclopropane-1-carboxamide
CID 65466399
2-amino-N-[(4-cyanophenyl)methyl]-N-propylpentanamide
CID 60944200
N-[(4-cyanophenyl)methyl]-2-(1-hydroxycyclopentyl)-N-propylacetamide
CID 111446250
methyl 6-[(4-cyanophenyl)methyl-propylcarbamoyl]pyridine-3-carboxylate
CID 134023429
(2S)-2-amino-N-[(4-cyanophenyl)methyl]-N-propylhexanamide
CID 107144457

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).