2-(3-cyanoanilino)-N-[2-(3-methoxyphenyl)ethyl]acetamide

C18H19N3O2 — CID 109001133

IUPAC2-(3-cyanoanilino)-N-[2-(3-methoxyphenyl)ethyl]acetamide
SMILESCOc1cccc(CCNC(=O)CNc2cccc(C#N)c2)c1
InChIInChI=1S/C18H19N3O2/c1-23-17-7-3-4-14(11-17)8-9-20-18(22)13-21-16-6-2-5-15(10-16)12-19/h2-7,10-11,21H,8-9,13H2,1H3,(H,20,22)
InChIKeyPYPPNQHBIBUQKG-UHFFFAOYSA-N
MW309.37 g/mol
LogP2.34
Rot. Bonds7

About 2-(3-cyanoanilino)-N-[2-(3-methoxyphenyl)ethyl]acetamide

2-(3-cyanoanilino)-N-[2-(3-methoxyphenyl)ethyl]acetamide (PubChem CID 109001133) has the molecular formula C18H19N3O2 and a molecular weight of 309.37 g/mol. Its IUPAC name is 2-(3-cyanoanilino)-N-[2-(3-methoxyphenyl)ethyl]acetamide.

Molecular Properties

Compound Name2-(3-cyanoanilino)-N-[2-(3-methoxyphenyl)ethyl]acetamide
PubChem CID109001133
Molecular FormulaC18H19N3O2
Molecular Weight309.37 g/mol
Exact Mass309.15
IUPAC Name2-(3-cyanoanilino)-N-[2-(3-methoxyphenyl)ethyl]acetamide
SMILESCOc1cccc(CCNC(=O)CNc2cccc(C#N)c2)c1
InChIInChI=1S/C18H19N3O2/c1-23-17-7-3-4-14(11-17)8-9-20-18(22)13-21-16-6-2-5-15(10-16)12-19/h2-7,10-11,21H,8-9,13H2,1H3,(H,20,22)
InChIKeyPYPPNQHBIBUQKG-UHFFFAOYSA-N
XLogP2.34
TPSA74.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.37
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-methoxyanilino)-N-[2-(3-methoxyphenyl)ethyl]acetamide
CID 109001073
N-[2-(3-methoxyphenyl)ethyl]-2-(4-phenoxyanilino)acetamide
CID 109001103
1-N-(3-cyanophenyl)-2-N-[2-(3-methoxyphenyl)ethyl]cyclopropane-1,2-dicarboxamide
CID 109137966
methyl N-[2-[2-(3-methoxyphenyl)ethylamino]-2-oxoethyl]carbamate
CID 47308059
2-amino-N-[2-(3-methoxyphenyl)ethyl]acetamide
CID 22690352
5-(3-cyanoanilino)-N-[2-(3-methoxyphenyl)ethyl]pyrazine-2-carboxamide
CID 109284773
N-(4-cyanophenyl)-2-(3-methoxyanilino)acetamide
CID 39381074
2-hydroxy-N-[2-(3-methoxyphenyl)ethyl]acetamide
CID 94681482
N-(3-cyanophenyl)-6-[2-(3-methoxyphenyl)ethylamino]pyridazine-3-carboxamide
CID 109122382
2-(3-methoxyanilino)-N-(2-methoxyethyl)acetamide
CID 39335252
N-[2-(3-methoxyphenyl)ethyl]-2-(2-methylpropylamino)acetamide
CID 108993195
2-(3-cyanoanilino)-N-[(4-methylphenyl)methyl]acetamide
CID 26438618

Frequently Asked Questions

What is the IUPAC name of 2-(3-cyanoanilino)-N-[2-(3-methoxyphenyl)ethyl]acetamide?
The IUPAC name of 2-(3-cyanoanilino)-N-[2-(3-methoxyphenyl)ethyl]acetamide (CID 109001133) is 2-(3-cyanoanilino)-N-[2-(3-methoxyphenyl)ethyl]acetamide.
What is the SMILES notation for 2-(3-cyanoanilino)-N-[2-(3-methoxyphenyl)ethyl]acetamide?
The canonical SMILES for 2-(3-cyanoanilino)-N-[2-(3-methoxyphenyl)ethyl]acetamide is COc1cccc(CCNC(=O)CNc2cccc(C#N)c2)c1.
What is the InChIKey of 2-(3-cyanoanilino)-N-[2-(3-methoxyphenyl)ethyl]acetamide?
The InChIKey is PYPPNQHBIBUQKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O2/c1-23-17-7-3-4-14(11-17)8-9-20-18(22)13-21-16-6-2-5-15(10-16)12-19/h2-7,10-11,21H,8-9,13H2,1H3,(H,20,22).
What are the key properties of 2-(3-cyanoanilino)-N-[2-(3-methoxyphenyl)ethyl]acetamide?
2-(3-cyanoanilino)-N-[2-(3-methoxyphenyl)ethyl]acetamide has a molecular weight of 309.37 g/mol, XLogP of 2.34, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-cyanoanilino)-N-[2-(3-methoxyphenyl)ethyl]acetamide is sourced from PubChem (CID 109001133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).