2-(4-cyano-2-methoxyphenoxy)-N-[3-[(dimethylamino)methyl]phenyl]acetamide

C19H21N3O3 — CID 86932038

IUPAC2-(4-cyano-2-methoxyphenoxy)-N-[3-[(dimethylamino)methyl]phenyl]acetamide
SMILESCOc1cc(C#N)ccc1OCC(=O)Nc1cccc(CN(C)C)c1
InChIInChI=1S/C19H21N3O3/c1-22(2)12-15-5-4-6-16(9-15)21-19(23)13-25-17-8-7-14(11-20)10-18(17)24-3/h4-10H,12-13H2,1-3H3,(H,21,23)
InChIKeyZPOUONNMPKCWOT-UHFFFAOYSA-N
MW339.40 g/mol
LogP2.65
Rot. Bonds7

About 2-(4-cyano-2-methoxyphenoxy)-N-[3-[(dimethylamino)methyl]phenyl]acetamide

2-(4-cyano-2-methoxyphenoxy)-N-[3-[(dimethylamino)methyl]phenyl]acetamide (PubChem CID 86932038) has the molecular formula C19H21N3O3 and a molecular weight of 339.40 g/mol. Its IUPAC name is 2-(4-cyano-2-methoxyphenoxy)-N-[3-[(dimethylamino)methyl]phenyl]acetamide.

Molecular Properties

Compound Name2-(4-cyano-2-methoxyphenoxy)-N-[3-[(dimethylamino)methyl]phenyl]acetamide
PubChem CID86932038
Molecular FormulaC19H21N3O3
Molecular Weight339.40 g/mol
Exact Mass339.16
IUPAC Name2-(4-cyano-2-methoxyphenoxy)-N-[3-[(dimethylamino)methyl]phenyl]acetamide
SMILESCOc1cc(C#N)ccc1OCC(=O)Nc1cccc(CN(C)C)c1
InChIInChI=1S/C19H21N3O3/c1-22(2)12-15-5-4-6-16(9-15)21-19(23)13-25-17-8-7-14(11-20)10-18(17)24-3/h4-10H,12-13H2,1-3H3,(H,21,23)
InChIKeyZPOUONNMPKCWOT-UHFFFAOYSA-N
XLogP2.65
TPSA74.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.40
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-cyano-2-methoxyphenoxy)-N-(4-ethylphenyl)acetamide
CID 2492527
5-[[2-(4-cyano-2-methoxyphenoxy)acetyl]amino]benzene-1,3-dicarboxamide
CID 41070274
2-(4-cyano-2-methoxyphenoxy)-N-[4-(diethylamino)phenyl]acetamide
CID 55309601
2-(4-cyano-2-methoxyphenoxy)-N-[3-(pyridin-2-ylmethoxy)phenyl]acetamide
CID 55653541
2-(4-cyano-2-methoxyphenoxy)-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)acetamide
CID 16511665
2-(4-cyano-2-methoxyphenoxy)-N-[2,6-di(propan-2-yl)phenyl]acetamide
CID 7757339
2-(4-cyano-2-ethoxyphenoxy)-N-[3-(pyrrolidin-1-ylmethyl)phenyl]acetamide
CID 46417263
N-(3-cyanophenyl)-2-(2,6-dimethoxy-4-methylphenoxy)acetamide
CID 2578049
2-(4-cyano-2-methoxyphenoxy)-N-(2-propan-2-ylphenyl)acetamide
CID 7757492
N-(3-cyanophenyl)-2-[4-(1,3-dithiolan-2-yl)-2-methoxyphenoxy]acetamide
CID 7706398
2-(4-cyano-2-methoxyphenoxy)-N-(2-fluorophenyl)acetamide
CID 2492568
2-[4-[[2-(4-cyano-2-methoxyphenoxy)acetyl]amino]phenyl]-2-methylpropanoic acid
CID 119253821

Frequently Asked Questions

What is the IUPAC name of 2-(4-cyano-2-methoxyphenoxy)-N-[3-[(dimethylamino)methyl]phenyl]acetamide?
The IUPAC name of 2-(4-cyano-2-methoxyphenoxy)-N-[3-[(dimethylamino)methyl]phenyl]acetamide (CID 86932038) is 2-(4-cyano-2-methoxyphenoxy)-N-[3-[(dimethylamino)methyl]phenyl]acetamide.
What is the SMILES notation for 2-(4-cyano-2-methoxyphenoxy)-N-[3-[(dimethylamino)methyl]phenyl]acetamide?
The canonical SMILES for 2-(4-cyano-2-methoxyphenoxy)-N-[3-[(dimethylamino)methyl]phenyl]acetamide is COc1cc(C#N)ccc1OCC(=O)Nc1cccc(CN(C)C)c1.
What is the InChIKey of 2-(4-cyano-2-methoxyphenoxy)-N-[3-[(dimethylamino)methyl]phenyl]acetamide?
The InChIKey is ZPOUONNMPKCWOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O3/c1-22(2)12-15-5-4-6-16(9-15)21-19(23)13-25-17-8-7-14(11-20)10-18(17)24-3/h4-10H,12-13H2,1-3H3,(H,21,23).
What are the key properties of 2-(4-cyano-2-methoxyphenoxy)-N-[3-[(dimethylamino)methyl]phenyl]acetamide?
2-(4-cyano-2-methoxyphenoxy)-N-[3-[(dimethylamino)methyl]phenyl]acetamide has a molecular weight of 339.40 g/mol, XLogP of 2.65, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-cyano-2-methoxyphenoxy)-N-[3-[(dimethylamino)methyl]phenyl]acetamide is sourced from PubChem (CID 86932038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).