2-[3-cyano-4-(methoxymethyl)anilino]-N-(3-methoxyphenyl)acetamide

C18H19N3O3 — CID 167917130

IUPAC2-[3-cyano-4-(methoxymethyl)anilino]-N-(3-methoxyphenyl)acetamide
SMILESCOCc1ccc(NCC(=O)Nc2cccc(OC)c2)cc1C#N
InChIInChI=1S/C18H19N3O3/c1-23-12-13-6-7-15(8-14(13)10-19)20-11-18(22)21-16-4-3-5-17(9-16)24-2/h3-9,20H,11-12H2,1-2H3,(H,21,22)
InChIKeyOBQLFZOOALJKIY-UHFFFAOYSA-N
MW325.37 g/mol
LogP2.76
Rot. Bonds7

About 2-[3-cyano-4-(methoxymethyl)anilino]-N-(3-methoxyphenyl)acetamide

2-[3-cyano-4-(methoxymethyl)anilino]-N-(3-methoxyphenyl)acetamide (PubChem CID 167917130) has the molecular formula C18H19N3O3 and a molecular weight of 325.37 g/mol. Its IUPAC name is 2-[3-cyano-4-(methoxymethyl)anilino]-N-(3-methoxyphenyl)acetamide.

Molecular Properties

Compound Name2-[3-cyano-4-(methoxymethyl)anilino]-N-(3-methoxyphenyl)acetamide
PubChem CID167917130
Molecular FormulaC18H19N3O3
Molecular Weight325.37 g/mol
Exact Mass325.14
IUPAC Name2-[3-cyano-4-(methoxymethyl)anilino]-N-(3-methoxyphenyl)acetamide
SMILESCOCc1ccc(NCC(=O)Nc2cccc(OC)c2)cc1C#N
InChIInChI=1S/C18H19N3O3/c1-23-12-13-6-7-15(8-14(13)10-19)20-11-18(22)21-16-4-3-5-17(9-16)24-2/h3-9,20H,11-12H2,1-2H3,(H,21,22)
InChIKeyOBQLFZOOALJKIY-UHFFFAOYSA-N
XLogP2.76
TPSA83.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.37
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-cyanophenyl)-2-(3-methoxyanilino)acetamide
CID 39381074
3-[[2-(3-methoxyanilino)acetyl]amino]benzamide
CID 54814576
2-(hydroxyamino)-N-(3-methoxyphenyl)acetamide
CID 12611733
N-[4-[[2-(3-methoxyanilino)-2-oxoethyl]amino]phenyl]propanamide
CID 54835583
N-[3-[[2-(3-methoxyanilino)acetyl]amino]phenyl]benzamide
CID 54814514
N-(4-bromo-3-methoxyphenyl)-2-(3-methoxyanilino)acetamide
CID 90177361
4-[[2-(3-methoxyanilino)-2-oxoethyl]amino]-N-propan-2-ylbenzamide
CID 54840781
N-[4-[[2-(3-methoxyanilino)acetyl]amino]phenyl]-3-methylbenzamide
CID 54814544
N-(4-butoxyphenyl)-2-(3-methoxyanilino)acetamide
CID 54814474
N-(3-methoxyphenyl)-2-[3-(2-methylprop-2-enoxy)anilino]acetamide
CID 54825899
3-(2-cyanoanilino)-N-(3-methoxyphenyl)propanamide
CID 109039534
N-[3-[[2-(4-methoxyanilino)-2-oxoethyl]amino]phenyl]propanamide
CID 54833198

Frequently Asked Questions

What is the IUPAC name of 2-[3-cyano-4-(methoxymethyl)anilino]-N-(3-methoxyphenyl)acetamide?
The IUPAC name of 2-[3-cyano-4-(methoxymethyl)anilino]-N-(3-methoxyphenyl)acetamide (CID 167917130) is 2-[3-cyano-4-(methoxymethyl)anilino]-N-(3-methoxyphenyl)acetamide.
What is the SMILES notation for 2-[3-cyano-4-(methoxymethyl)anilino]-N-(3-methoxyphenyl)acetamide?
The canonical SMILES for 2-[3-cyano-4-(methoxymethyl)anilino]-N-(3-methoxyphenyl)acetamide is COCc1ccc(NCC(=O)Nc2cccc(OC)c2)cc1C#N.
What is the InChIKey of 2-[3-cyano-4-(methoxymethyl)anilino]-N-(3-methoxyphenyl)acetamide?
The InChIKey is OBQLFZOOALJKIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O3/c1-23-12-13-6-7-15(8-14(13)10-19)20-11-18(22)21-16-4-3-5-17(9-16)24-2/h3-9,20H,11-12H2,1-2H3,(H,21,22).
What are the key properties of 2-[3-cyano-4-(methoxymethyl)anilino]-N-(3-methoxyphenyl)acetamide?
2-[3-cyano-4-(methoxymethyl)anilino]-N-(3-methoxyphenyl)acetamide has a molecular weight of 325.37 g/mol, XLogP of 2.76, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-cyano-4-(methoxymethyl)anilino]-N-(3-methoxyphenyl)acetamide is sourced from PubChem (CID 167917130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).