3-(4-cyanophenyl)-N-methyl-N-[2-(3-methylphenoxy)ethyl]propanamide

C20H22N2O2 — CID 31949840

IUPAC3-(4-cyanophenyl)-N-methyl-N-[2-(3-methylphenoxy)ethyl]propanamide
SMILESCc1cccc(OCCN(C)C(=O)CCc2ccc(C#N)cc2)c1
InChIInChI=1S/C20H22N2O2/c1-16-4-3-5-19(14-16)24-13-12-22(2)20(23)11-10-17-6-8-18(15-21)9-7-17/h3-9,14H,10-13H2,1-2H3
InChIKeyBFTQYXBNUBDFNN-UHFFFAOYSA-N
MW322.41 g/mol
LogP3.34
Rot. Bonds7

About 3-(4-cyanophenyl)-N-methyl-N-[2-(3-methylphenoxy)ethyl]propanamide

3-(4-cyanophenyl)-N-methyl-N-[2-(3-methylphenoxy)ethyl]propanamide (PubChem CID 31949840) has the molecular formula C20H22N2O2 and a molecular weight of 322.41 g/mol. Its IUPAC name is 3-(4-cyanophenyl)-N-methyl-N-[2-(3-methylphenoxy)ethyl]propanamide.

Molecular Properties

Compound Name3-(4-cyanophenyl)-N-methyl-N-[2-(3-methylphenoxy)ethyl]propanamide
PubChem CID31949840
Molecular FormulaC20H22N2O2
Molecular Weight322.41 g/mol
Exact Mass322.17
IUPAC Name3-(4-cyanophenyl)-N-methyl-N-[2-(3-methylphenoxy)ethyl]propanamide
SMILESCc1cccc(OCCN(C)C(=O)CCc2ccc(C#N)cc2)c1
InChIInChI=1S/C20H22N2O2/c1-16-4-3-5-19(14-16)24-13-12-22(2)20(23)11-10-17-6-8-18(15-21)9-7-17/h3-9,14H,10-13H2,1-2H3
InChIKeyBFTQYXBNUBDFNN-UHFFFAOYSA-N
XLogP3.34
TPSA53.33 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.41
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(3-chlorophenoxy)ethyl]-3-(4-cyanophenyl)-N-methylpropanamide
CID 31949619
N-[(4-cyanophenyl)methyl]-N-methyl-4-(3-methylphenoxy)butanamide
CID 39858840
3-(4-cyanophenyl)-N-[2-(4-fluorophenoxy)ethyl]-N-methylpropanamide
CID 31949594
N-methyl-N-[2-(3-methylphenoxy)ethyl]butanamide
CID 60676013
3-amino-N-methyl-N-[2-(3-methylphenoxy)ethyl]propanamide;hydrochloride
CID 119274543
3-chloro-N-methyl-N-[2-(3-methylphenoxy)ethyl]propanamide
CID 54875471
4-cyano-N-methyl-N-[2-(3-methylphenoxy)ethyl]benzenesulfonamide
CID 26544504
3-(4-cyanophenyl)-N-ethyl-N-methylpropanamide
CID 90748205
N-(2-aminoethyl)-N-methyl-3-(3-methylphenoxy)propanamide
CID 55149658
2-(4-bromophenyl)-N-methyl-N-[2-(3-methylphenoxy)ethyl]acetamide
CID 55431376
N-[2-(4-methoxyphenoxy)ethyl]-3-(4-methoxyphenyl)-N-methylpropanamide
CID 78794099
2,2-dimethyl-4-[methyl-[2-(3-methylphenoxy)ethyl]amino]-4-oxobutanoic acid
CID 65302126

Frequently Asked Questions

What is the IUPAC name of 3-(4-cyanophenyl)-N-methyl-N-[2-(3-methylphenoxy)ethyl]propanamide?
The IUPAC name of 3-(4-cyanophenyl)-N-methyl-N-[2-(3-methylphenoxy)ethyl]propanamide (CID 31949840) is 3-(4-cyanophenyl)-N-methyl-N-[2-(3-methylphenoxy)ethyl]propanamide.
What is the SMILES notation for 3-(4-cyanophenyl)-N-methyl-N-[2-(3-methylphenoxy)ethyl]propanamide?
The canonical SMILES for 3-(4-cyanophenyl)-N-methyl-N-[2-(3-methylphenoxy)ethyl]propanamide is Cc1cccc(OCCN(C)C(=O)CCc2ccc(C#N)cc2)c1.
What is the InChIKey of 3-(4-cyanophenyl)-N-methyl-N-[2-(3-methylphenoxy)ethyl]propanamide?
The InChIKey is BFTQYXBNUBDFNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O2/c1-16-4-3-5-19(14-16)24-13-12-22(2)20(23)11-10-17-6-8-18(15-21)9-7-17/h3-9,14H,10-13H2,1-2H3.
What are the key properties of 3-(4-cyanophenyl)-N-methyl-N-[2-(3-methylphenoxy)ethyl]propanamide?
3-(4-cyanophenyl)-N-methyl-N-[2-(3-methylphenoxy)ethyl]propanamide has a molecular weight of 322.41 g/mol, XLogP of 3.34, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-cyanophenyl)-N-methyl-N-[2-(3-methylphenoxy)ethyl]propanamide is sourced from PubChem (CID 31949840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).