N-[2-(3-cyanoanilino)-2-oxoethyl]-3-(3,4-dimethoxyphenyl)propanamide

C20H21N3O4 — CID 113001935

IUPACN-[2-(3-cyanoanilino)-2-oxoethyl]-3-(3,4-dimethoxyphenyl)propanamide
SMILESCOc1ccc(CCC(=O)NCC(=O)Nc2cccc(C#N)c2)cc1OC
InChIInChI=1S/C20H21N3O4/c1-26-17-8-6-14(11-18(17)27-2)7-9-19(24)22-13-20(25)23-16-5-3-4-15(10-16)12-21/h3-6,8,10-11H,7,9,13H2,1-2H3,(H,22,24)(H,23,25)
InChIKeyBXFBMRLJEAHANO-UHFFFAOYSA-N
MW367.41 g/mol
LogP2.26
Rot. Bonds8

About N-[2-(3-cyanoanilino)-2-oxoethyl]-3-(3,4-dimethoxyphenyl)propanamide

N-[2-(3-cyanoanilino)-2-oxoethyl]-3-(3,4-dimethoxyphenyl)propanamide (PubChem CID 113001935) has the molecular formula C20H21N3O4 and a molecular weight of 367.41 g/mol. Its IUPAC name is N-[2-(3-cyanoanilino)-2-oxoethyl]-3-(3,4-dimethoxyphenyl)propanamide.

Molecular Properties

Compound NameN-[2-(3-cyanoanilino)-2-oxoethyl]-3-(3,4-dimethoxyphenyl)propanamide
PubChem CID113001935
Molecular FormulaC20H21N3O4
Molecular Weight367.41 g/mol
Exact Mass367.15
IUPAC NameN-[2-(3-cyanoanilino)-2-oxoethyl]-3-(3,4-dimethoxyphenyl)propanamide
SMILESCOc1ccc(CCC(=O)NCC(=O)Nc2cccc(C#N)c2)cc1OC
InChIInChI=1S/C20H21N3O4/c1-26-17-8-6-14(11-18(17)27-2)7-9-19(24)22-13-20(25)23-16-5-3-4-15(10-16)12-21/h3-6,8,10-11H,7,9,13H2,1-2H3,(H,22,24)(H,23,25)
InChIKeyBXFBMRLJEAHANO-UHFFFAOYSA-N
XLogP2.26
TPSA100.45 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.41
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-cyanophenyl)-4-(3,4-dimethoxyphenyl)butanamide
CID 110428452
N-[2-(2,6-difluoroanilino)-2-oxoethyl]-3-(3,4-dimethoxyphenyl)propanamide
CID 113002282
3-(3,4-dimethoxyphenyl)-N-[2-(2,3-dimethylanilino)-2-oxoethyl]propanamide
CID 26660572
3-(3-cyanoanilino)-N-(3,4-dimethoxyphenyl)propanamide
CID 109040576
N-(3-bromophenyl)-3-(3,4-dimethoxyphenyl)propanamide
CID 9341227
N-(3-cyanophenyl)-4-[(3,4-dimethoxyphenyl)methyl]piperazine-1-carboxamide
CID 113109998
N-[2-(3-cyanoanilino)-2-oxoethyl]-2-(4-fluorophenyl)acetamide
CID 113001924
tert-butyl N-[2-[3-[[3-(4-ethoxy-3-methoxyphenyl)propanoylamino]methyl]anilino]-2-oxoethyl]carbamate
CID 108918491
N-(3-cyanophenyl)-1-[2-(3,4-dimethoxyphenyl)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 51143300
3-(3,4-dimethoxyphenyl)-N-(2,6-dimethylphenyl)propanamide
CID 19220644
N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-3-(3,4-dimethoxyphenyl)propanamide
CID 27781319
N-[5-(3-cyanoanilino)-2-pyridinyl]-2-(3,4-dimethoxyphenyl)acetamide
CID 113037183

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-cyanoanilino)-2-oxoethyl]-3-(3,4-dimethoxyphenyl)propanamide?
The IUPAC name of N-[2-(3-cyanoanilino)-2-oxoethyl]-3-(3,4-dimethoxyphenyl)propanamide (CID 113001935) is N-[2-(3-cyanoanilino)-2-oxoethyl]-3-(3,4-dimethoxyphenyl)propanamide.
What is the SMILES notation for N-[2-(3-cyanoanilino)-2-oxoethyl]-3-(3,4-dimethoxyphenyl)propanamide?
The canonical SMILES for N-[2-(3-cyanoanilino)-2-oxoethyl]-3-(3,4-dimethoxyphenyl)propanamide is COc1ccc(CCC(=O)NCC(=O)Nc2cccc(C#N)c2)cc1OC.
What is the InChIKey of N-[2-(3-cyanoanilino)-2-oxoethyl]-3-(3,4-dimethoxyphenyl)propanamide?
The InChIKey is BXFBMRLJEAHANO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O4/c1-26-17-8-6-14(11-18(17)27-2)7-9-19(24)22-13-20(25)23-16-5-3-4-15(10-16)12-21/h3-6,8,10-11H,7,9,13H2,1-2H3,(H,22,24)(H,23,25).
What are the key properties of N-[2-(3-cyanoanilino)-2-oxoethyl]-3-(3,4-dimethoxyphenyl)propanamide?
N-[2-(3-cyanoanilino)-2-oxoethyl]-3-(3,4-dimethoxyphenyl)propanamide has a molecular weight of 367.41 g/mol, XLogP of 2.26, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-cyanoanilino)-2-oxoethyl]-3-(3,4-dimethoxyphenyl)propanamide is sourced from PubChem (CID 113001935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).