N-(2-cyanopropan-2-yl)-5-(4-methoxyphenyl)-5-oxopentanamide

C16H20N2O3 — CID 110615072

IUPACN-(2-cyanopropan-2-yl)-5-(4-methoxyphenyl)-5-oxopentanamide
SMILESCOc1ccc(C(=O)CCCC(=O)NC(C)(C)C#N)cc1
InChIInChI=1S/C16H20N2O3/c1-16(2,11-17)18-15(20)6-4-5-14(19)12-7-9-13(21-3)10-8-12/h7-10H,4-6H2,1-3H3,(H,18,20)
InChIKeyBGVGYOWKVICNGH-UHFFFAOYSA-N
MW288.35 g/mol
LogP2.47
Rot. Bonds7

About N-(2-cyanopropan-2-yl)-5-(4-methoxyphenyl)-5-oxopentanamide

N-(2-cyanopropan-2-yl)-5-(4-methoxyphenyl)-5-oxopentanamide (PubChem CID 110615072) has the molecular formula C16H20N2O3 and a molecular weight of 288.35 g/mol. Its IUPAC name is N-(2-cyanopropan-2-yl)-5-(4-methoxyphenyl)-5-oxopentanamide.

Molecular Properties

Compound NameN-(2-cyanopropan-2-yl)-5-(4-methoxyphenyl)-5-oxopentanamide
PubChem CID110615072
Molecular FormulaC16H20N2O3
Molecular Weight288.35 g/mol
Exact Mass288.15
IUPAC NameN-(2-cyanopropan-2-yl)-5-(4-methoxyphenyl)-5-oxopentanamide
SMILESCOc1ccc(C(=O)CCCC(=O)NC(C)(C)C#N)cc1
InChIInChI=1S/C16H20N2O3/c1-16(2,11-17)18-15(20)6-4-5-14(19)12-7-9-13(21-3)10-8-12/h7-10H,4-6H2,1-3H3,(H,18,20)
InChIKeyBGVGYOWKVICNGH-UHFFFAOYSA-N
XLogP2.47
TPSA79.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-methoxy-5-(4-methoxyphenyl)-5-oxopentanamide
CID 47413820
N-(1-amino-2,4-dimethylpentan-2-yl)-5-(4-methoxyphenyl)-5-oxopentanamide
CID 119598588
N-(4,4-dimethylpentyl)-5-(4-methoxyphenyl)-5-oxopentanamide
CID 110617824
1,9-bis(4-methoxyphenyl)nonane-1,9-dione
CID 3499009
N-(1-amino-2-methylpropan-2-yl)-4-(4-methoxyphenyl)-4-oxobutanamide
CID 119523024
4-amino-1-(4-methoxyphenyl)-4-methylpentan-1-one
CID 116571375
5-(4-methoxyphenyl)-N-(2-methyl-2-pyrrolidin-1-ylpropyl)-5-oxopentanamide
CID 110303155
5-(4-methoxyphenyl)-N-[(4-methylphenyl)methyl]-5-oxopentanamide
CID 110298184
N-(2,3-dichlorophenyl)-5-(4-methoxyphenyl)-5-oxopentanamide
CID 110298279
1-(4-methoxyphenyl)nonan-1-one
CID 3628625
1-(4-methoxyphenyl)tetradecan-1-one
CID 4168978
N-(4-anilinophenyl)-5-(4-methoxyphenyl)-5-oxopentanamide
CID 52710157

Frequently Asked Questions

What is the IUPAC name of N-(2-cyanopropan-2-yl)-5-(4-methoxyphenyl)-5-oxopentanamide?
The IUPAC name of N-(2-cyanopropan-2-yl)-5-(4-methoxyphenyl)-5-oxopentanamide (CID 110615072) is N-(2-cyanopropan-2-yl)-5-(4-methoxyphenyl)-5-oxopentanamide.
What is the SMILES notation for N-(2-cyanopropan-2-yl)-5-(4-methoxyphenyl)-5-oxopentanamide?
The canonical SMILES for N-(2-cyanopropan-2-yl)-5-(4-methoxyphenyl)-5-oxopentanamide is COc1ccc(C(=O)CCCC(=O)NC(C)(C)C#N)cc1.
What is the InChIKey of N-(2-cyanopropan-2-yl)-5-(4-methoxyphenyl)-5-oxopentanamide?
The InChIKey is BGVGYOWKVICNGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O3/c1-16(2,11-17)18-15(20)6-4-5-14(19)12-7-9-13(21-3)10-8-12/h7-10H,4-6H2,1-3H3,(H,18,20).
What are the key properties of N-(2-cyanopropan-2-yl)-5-(4-methoxyphenyl)-5-oxopentanamide?
N-(2-cyanopropan-2-yl)-5-(4-methoxyphenyl)-5-oxopentanamide has a molecular weight of 288.35 g/mol, XLogP of 2.47, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyanopropan-2-yl)-5-(4-methoxyphenyl)-5-oxopentanamide is sourced from PubChem (CID 110615072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).