2-cyano-N-methyl-2-phenyl-N-(2-propan-2-yloxyethyl)acetamide

C15H20N2O2 — CID 81056043

IUPAC2-cyano-N-methyl-2-phenyl-N-(2-propan-2-yloxyethyl)acetamide
SMILESCC(C)OCCN(C)C(=O)C(C#N)c1ccccc1
InChIInChI=1S/C15H20N2O2/c1-12(2)19-10-9-17(3)15(18)14(11-16)13-7-5-4-6-8-13/h4-8,12,14H,9-10H2,1-3H3
InChIKeyJXVAXJVOMZWPMK-UHFFFAOYSA-N
MW260.34 g/mol
LogP2.18
Rot. Bonds6

About 2-cyano-N-methyl-2-phenyl-N-(2-propan-2-yloxyethyl)acetamide

2-cyano-N-methyl-2-phenyl-N-(2-propan-2-yloxyethyl)acetamide (PubChem CID 81056043) has the molecular formula C15H20N2O2 and a molecular weight of 260.34 g/mol. Its IUPAC name is 2-cyano-N-methyl-2-phenyl-N-(2-propan-2-yloxyethyl)acetamide.

Molecular Properties

Compound Name2-cyano-N-methyl-2-phenyl-N-(2-propan-2-yloxyethyl)acetamide
PubChem CID81056043
Molecular FormulaC15H20N2O2
Molecular Weight260.34 g/mol
Exact Mass260.15
IUPAC Name2-cyano-N-methyl-2-phenyl-N-(2-propan-2-yloxyethyl)acetamide
SMILESCC(C)OCCN(C)C(=O)C(C#N)c1ccccc1
InChIInChI=1S/C15H20N2O2/c1-12(2)19-10-9-17(3)15(18)14(11-16)13-7-5-4-6-8-13/h4-8,12,14H,9-10H2,1-3H3
InChIKeyJXVAXJVOMZWPMK-UHFFFAOYSA-N
XLogP2.18
TPSA53.33 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 52.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-cyano-N-methyl-N-pentyl-2-phenylacetamide
CID 62877008
2-cyano-N-[2-(dimethylamino)-2-oxoethyl]-N-methyl-2-phenylacetamide
CID 62877874
2-cyano-N-methyl-N-pentan-3-yl-2-phenylacetamide
CID 62877708
3-amino-2-benzyl-N-methyl-N-(2-propan-2-yloxyethyl)-3-sulfanylidenepropanamide
CID 81035795
2-cyano-N-[2-(dimethylamino)-2-oxoethyl]-2-phenyl-N-propylacetamide
CID 62878774
(2S)-4-methyl-3-oxo-2-phenylpentanenitrile
CID 92981009
2-cyano-N-(4-methoxyphenyl)-N-methyl-2-phenylacetamide
CID 62879005
2-[methyl(2-propan-2-yloxyethyl)amino]-2-phenylacetohydrazide
CID 81068829
2-cyano-N-cyclopentyl-N-(2-hydroxyethyl)-2-phenylacetamide
CID 62877024
(2R)-2-cyano-2-phenylacetic acid
CID 6999087
N,3-dimethyl-N-(2-propan-2-yloxyethyl)-2-sulfanylbutanamide
CID 107032948
N-(2-amino-2-oxoethyl)-N-butyl-2-cyano-2-phenylacetamide
CID 62878068

Frequently Asked Questions

What is the IUPAC name of 2-cyano-N-methyl-2-phenyl-N-(2-propan-2-yloxyethyl)acetamide?
The IUPAC name of 2-cyano-N-methyl-2-phenyl-N-(2-propan-2-yloxyethyl)acetamide (CID 81056043) is 2-cyano-N-methyl-2-phenyl-N-(2-propan-2-yloxyethyl)acetamide.
What is the SMILES notation for 2-cyano-N-methyl-2-phenyl-N-(2-propan-2-yloxyethyl)acetamide?
The canonical SMILES for 2-cyano-N-methyl-2-phenyl-N-(2-propan-2-yloxyethyl)acetamide is CC(C)OCCN(C)C(=O)C(C#N)c1ccccc1.
What is the InChIKey of 2-cyano-N-methyl-2-phenyl-N-(2-propan-2-yloxyethyl)acetamide?
The InChIKey is JXVAXJVOMZWPMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O2/c1-12(2)19-10-9-17(3)15(18)14(11-16)13-7-5-4-6-8-13/h4-8,12,14H,9-10H2,1-3H3.
What are the key properties of 2-cyano-N-methyl-2-phenyl-N-(2-propan-2-yloxyethyl)acetamide?
2-cyano-N-methyl-2-phenyl-N-(2-propan-2-yloxyethyl)acetamide has a molecular weight of 260.34 g/mol, XLogP of 2.18, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-N-methyl-2-phenyl-N-(2-propan-2-yloxyethyl)acetamide is sourced from PubChem (CID 81056043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).