N-(4-cyano-2-methoxyphenyl)-3-(oxan-2-yl)propanamide

C16H20N2O3 — CID 104848977

IUPACN-(4-cyano-2-methoxyphenyl)-3-(oxan-2-yl)propanamide
SMILESCOc1cc(C#N)ccc1NC(=O)CCC1CCCCO1
InChIInChI=1S/C16H20N2O3/c1-20-15-10-12(11-17)5-7-14(15)18-16(19)8-6-13-4-2-3-9-21-13/h5,7,10,13H,2-4,6,8-9H2,1H3,(H,18,19)
InChIKeyLTLNQXRIKSAHHD-UHFFFAOYSA-N
MW288.35 g/mol
LogP2.85
Rot. Bonds5

About N-(4-cyano-2-methoxyphenyl)-3-(oxan-2-yl)propanamide

N-(4-cyano-2-methoxyphenyl)-3-(oxan-2-yl)propanamide (PubChem CID 104848977) has the molecular formula C16H20N2O3 and a molecular weight of 288.35 g/mol. Its IUPAC name is N-(4-cyano-2-methoxyphenyl)-3-(oxan-2-yl)propanamide.

Molecular Properties

Compound NameN-(4-cyano-2-methoxyphenyl)-3-(oxan-2-yl)propanamide
PubChem CID104848977
Molecular FormulaC16H20N2O3
Molecular Weight288.35 g/mol
Exact Mass288.15
IUPAC NameN-(4-cyano-2-methoxyphenyl)-3-(oxan-2-yl)propanamide
SMILESCOc1cc(C#N)ccc1NC(=O)CCC1CCCCO1
InChIInChI=1S/C16H20N2O3/c1-20-15-10-12(11-17)5-7-14(15)18-16(19)8-6-13-4-2-3-9-21-13/h5,7,10,13H,2-4,6,8-9H2,1H3,(H,18,19)
InChIKeyLTLNQXRIKSAHHD-UHFFFAOYSA-N
XLogP2.85
TPSA71.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-cyanophenyl)-3-(oxan-2-yl)propanamide
CID 63939812
N-(4-amino-2-methoxyphenyl)-3-(oxolan-2-yl)propanamide
CID 65152231
N-(5-amino-2-methoxyphenyl)-3-(oxan-2-yl)propanamide
CID 63950896
N-(4-amino-3-methoxyphenyl)-3-(oxan-2-yl)propanamide
CID 63953371
N-(4-cyano-2-methoxyphenyl)-3-sulfanylpropanamide
CID 107035018
N-(5-bromo-2-cyanophenyl)-3-(oxan-2-yl)propanamide
CID 104880332
5-(4-cyano-2-methoxyanilino)-5-oxopentanoic acid
CID 104833874
3-(4-cyano-2-methoxyanilino)-3-oxopropanoic acid
CID 104850039
N-(4-cyano-2-methoxyphenyl)-2-methylsulfonylacetamide
CID 104849054
N-(4-cyano-2-methoxyphenyl)-3-propoxypropanamide
CID 104849122
N-(4-amino-2-methylphenyl)-3-(oxan-2-yl)propanamide
CID 63951302
N-(2,4-dimethoxyphenyl)-3-[methyl(oxan-2-ylmethyl)amino]propanamide
CID 91842038

Frequently Asked Questions

What is the IUPAC name of N-(4-cyano-2-methoxyphenyl)-3-(oxan-2-yl)propanamide?
The IUPAC name of N-(4-cyano-2-methoxyphenyl)-3-(oxan-2-yl)propanamide (CID 104848977) is N-(4-cyano-2-methoxyphenyl)-3-(oxan-2-yl)propanamide.
What is the SMILES notation for N-(4-cyano-2-methoxyphenyl)-3-(oxan-2-yl)propanamide?
The canonical SMILES for N-(4-cyano-2-methoxyphenyl)-3-(oxan-2-yl)propanamide is COc1cc(C#N)ccc1NC(=O)CCC1CCCCO1.
What is the InChIKey of N-(4-cyano-2-methoxyphenyl)-3-(oxan-2-yl)propanamide?
The InChIKey is LTLNQXRIKSAHHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O3/c1-20-15-10-12(11-17)5-7-14(15)18-16(19)8-6-13-4-2-3-9-21-13/h5,7,10,13H,2-4,6,8-9H2,1H3,(H,18,19).
What are the key properties of N-(4-cyano-2-methoxyphenyl)-3-(oxan-2-yl)propanamide?
N-(4-cyano-2-methoxyphenyl)-3-(oxan-2-yl)propanamide has a molecular weight of 288.35 g/mol, XLogP of 2.85, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-cyano-2-methoxyphenyl)-3-(oxan-2-yl)propanamide is sourced from PubChem (CID 104848977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).