2-[[4-(2-cyanophenyl)phenyl]methyl-propan-2-ylamino]acetamide

C19H21N3O — CID 18150302

IUPAC2-[[4-(2-cyanophenyl)phenyl]methyl-propan-2-ylamino]acetamide
SMILESCC(C)N(CC(N)=O)Cc1ccc(-c2ccccc2C#N)cc1
InChIInChI=1S/C19H21N3O/c1-14(2)22(13-19(21)23)12-15-7-9-16(10-8-15)18-6-4-3-5-17(18)11-20/h3-10,14H,12-13H2,1-2H3,(H2,21,23)
InChIKeyAIMLTBNMXWGIOM-UHFFFAOYSA-N
MW307.40 g/mol
LogP2.92
Rot. Bonds6

About 2-[[4-(2-cyanophenyl)phenyl]methyl-propan-2-ylamino]acetamide

2-[[4-(2-cyanophenyl)phenyl]methyl-propan-2-ylamino]acetamide (PubChem CID 18150302) has the molecular formula C19H21N3O and a molecular weight of 307.40 g/mol. Its IUPAC name is 2-[[4-(2-cyanophenyl)phenyl]methyl-propan-2-ylamino]acetamide.

Molecular Properties

Compound Name2-[[4-(2-cyanophenyl)phenyl]methyl-propan-2-ylamino]acetamide
PubChem CID18150302
Molecular FormulaC19H21N3O
Molecular Weight307.40 g/mol
Exact Mass307.17
IUPAC Name2-[[4-(2-cyanophenyl)phenyl]methyl-propan-2-ylamino]acetamide
SMILESCC(C)N(CC(N)=O)Cc1ccc(-c2ccccc2C#N)cc1
InChIInChI=1S/C19H21N3O/c1-14(2)22(13-19(21)23)12-15-7-9-16(10-8-15)18-6-4-3-5-17(18)11-20/h3-10,14H,12-13H2,1-2H3,(H2,21,23)
InChIKeyAIMLTBNMXWGIOM-UHFFFAOYSA-N
XLogP2.92
TPSA70.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.40
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[[4-(2-cyanophenyl)phenyl]methyl-propan-2-ylamino]acetamide?
The IUPAC name of 2-[[4-(2-cyanophenyl)phenyl]methyl-propan-2-ylamino]acetamide (CID 18150302) is 2-[[4-(2-cyanophenyl)phenyl]methyl-propan-2-ylamino]acetamide.
What is the SMILES notation for 2-[[4-(2-cyanophenyl)phenyl]methyl-propan-2-ylamino]acetamide?
The canonical SMILES for 2-[[4-(2-cyanophenyl)phenyl]methyl-propan-2-ylamino]acetamide is CC(C)N(CC(N)=O)Cc1ccc(-c2ccccc2C#N)cc1.
What is the InChIKey of 2-[[4-(2-cyanophenyl)phenyl]methyl-propan-2-ylamino]acetamide?
The InChIKey is AIMLTBNMXWGIOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O/c1-14(2)22(13-19(21)23)12-15-7-9-16(10-8-15)18-6-4-3-5-17(18)11-20/h3-10,14H,12-13H2,1-2H3,(H2,21,23).
What are the key properties of 2-[[4-(2-cyanophenyl)phenyl]methyl-propan-2-ylamino]acetamide?
2-[[4-(2-cyanophenyl)phenyl]methyl-propan-2-ylamino]acetamide has a molecular weight of 307.40 g/mol, XLogP of 2.92, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(2-cyanophenyl)phenyl]methyl-propan-2-ylamino]acetamide is sourced from PubChem (CID 18150302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).