N-(3-cyanophenyl)-4-(3,4-dimethoxyphenyl)butanamide

C19H20N2O3 — CID 110428452

IUPACN-(3-cyanophenyl)-4-(3,4-dimethoxyphenyl)butanamide
SMILESCOc1ccc(CCCC(=O)Nc2cccc(C#N)c2)cc1OC
InChIInChI=1S/C19H20N2O3/c1-23-17-10-9-14(12-18(17)24-2)5-4-8-19(22)21-16-7-3-6-15(11-16)13-20/h3,6-7,9-12H,4-5,8H2,1-2H3,(H,21,22)
InChIKeyIEOAKWLLIOSXJJ-UHFFFAOYSA-N
MW324.38 g/mol
LogP3.54
Rot. Bonds7

About N-(3-cyanophenyl)-4-(3,4-dimethoxyphenyl)butanamide

N-(3-cyanophenyl)-4-(3,4-dimethoxyphenyl)butanamide (PubChem CID 110428452) has the molecular formula C19H20N2O3 and a molecular weight of 324.38 g/mol. Its IUPAC name is N-(3-cyanophenyl)-4-(3,4-dimethoxyphenyl)butanamide.

Molecular Properties

Compound NameN-(3-cyanophenyl)-4-(3,4-dimethoxyphenyl)butanamide
PubChem CID110428452
Molecular FormulaC19H20N2O3
Molecular Weight324.38 g/mol
Exact Mass324.15
IUPAC NameN-(3-cyanophenyl)-4-(3,4-dimethoxyphenyl)butanamide
SMILESCOc1ccc(CCCC(=O)Nc2cccc(C#N)c2)cc1OC
InChIInChI=1S/C19H20N2O3/c1-23-17-10-9-14(12-18(17)24-2)5-4-8-19(22)21-16-7-3-6-15(11-16)13-20/h3,6-7,9-12H,4-5,8H2,1-2H3,(H,21,22)
InChIKeyIEOAKWLLIOSXJJ-UHFFFAOYSA-N
XLogP3.54
TPSA71.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.38
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(3-cyanoanilino)-2-oxoethyl]-3-(3,4-dimethoxyphenyl)propanamide
CID 113001935
3-(3-cyanoanilino)-N-(3,4-dimethoxyphenyl)propanamide
CID 109040576
N-(4-acetamidophenyl)-4-(3,4-dimethoxyphenyl)butanamide
CID 110423899
4-(3,4-dimethoxyphenyl)-N-(4-ethoxyphenyl)butanamide
CID 110422258
N-(3-bromophenyl)-3-(3,4-dimethoxyphenyl)propanamide
CID 9341227
4-(3,4-dimethoxyphenyl)-N-(3-morpholin-4-ylphenyl)butanamide
CID 110612957
N-(3-cyanophenyl)octanamide
CID 4958584
4-(3,4-dimethoxyphenyl)-N-[4-(dimethylamino)phenyl]butanamide
CID 110424664
N-(3-cyanophenyl)-3-(3,4,5-trimethoxyanilino)propanamide
CID 109042534
4-(4-cyano-2-methoxyphenoxy)-N-[3-(2-methylpropanoylamino)phenyl]butanamide
CID 55719091
N-(3-cyanophenyl)-4-[(3,4-dimethoxyphenyl)methyl]piperazine-1-carboxamide
CID 113109998
N-(3-cyanophenyl)-1-[2-(3,4-dimethoxyphenyl)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 51143300

Frequently Asked Questions

What is the IUPAC name of N-(3-cyanophenyl)-4-(3,4-dimethoxyphenyl)butanamide?
The IUPAC name of N-(3-cyanophenyl)-4-(3,4-dimethoxyphenyl)butanamide (CID 110428452) is N-(3-cyanophenyl)-4-(3,4-dimethoxyphenyl)butanamide.
What is the SMILES notation for N-(3-cyanophenyl)-4-(3,4-dimethoxyphenyl)butanamide?
The canonical SMILES for N-(3-cyanophenyl)-4-(3,4-dimethoxyphenyl)butanamide is COc1ccc(CCCC(=O)Nc2cccc(C#N)c2)cc1OC.
What is the InChIKey of N-(3-cyanophenyl)-4-(3,4-dimethoxyphenyl)butanamide?
The InChIKey is IEOAKWLLIOSXJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O3/c1-23-17-10-9-14(12-18(17)24-2)5-4-8-19(22)21-16-7-3-6-15(11-16)13-20/h3,6-7,9-12H,4-5,8H2,1-2H3,(H,21,22).
What are the key properties of N-(3-cyanophenyl)-4-(3,4-dimethoxyphenyl)butanamide?
N-(3-cyanophenyl)-4-(3,4-dimethoxyphenyl)butanamide has a molecular weight of 324.38 g/mol, XLogP of 3.54, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyanophenyl)-4-(3,4-dimethoxyphenyl)butanamide is sourced from PubChem (CID 110428452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).