2-cyano-N-[2-(2-methoxy-5-methylphenyl)-2-methylpropyl]acetamide

C15H20N2O2 — CID 115173415

IUPAC2-cyano-N-[2-(2-methoxy-5-methylphenyl)-2-methylpropyl]acetamide
SMILESCOc1ccc(C)cc1C(C)(C)CNC(=O)CC#N
InChIInChI=1S/C15H20N2O2/c1-11-5-6-13(19-4)12(9-11)15(2,3)10-17-14(18)7-8-16/h5-6,9H,7,10H2,1-4H3,(H,17,18)
InChIKeyLWPGJGODHJQJRN-UHFFFAOYSA-N
MW260.34 g/mol
LogP2.31
Rot. Bonds5

About 2-cyano-N-[2-(2-methoxy-5-methylphenyl)-2-methylpropyl]acetamide

2-cyano-N-[2-(2-methoxy-5-methylphenyl)-2-methylpropyl]acetamide (PubChem CID 115173415) has the molecular formula C15H20N2O2 and a molecular weight of 260.34 g/mol. Its IUPAC name is 2-cyano-N-[2-(2-methoxy-5-methylphenyl)-2-methylpropyl]acetamide.

Molecular Properties

Compound Name2-cyano-N-[2-(2-methoxy-5-methylphenyl)-2-methylpropyl]acetamide
PubChem CID115173415
Molecular FormulaC15H20N2O2
Molecular Weight260.34 g/mol
Exact Mass260.15
IUPAC Name2-cyano-N-[2-(2-methoxy-5-methylphenyl)-2-methylpropyl]acetamide
SMILESCOc1ccc(C)cc1C(C)(C)CNC(=O)CC#N
InChIInChI=1S/C15H20N2O2/c1-11-5-6-13(19-4)12(9-11)15(2,3)10-17-14(18)7-8-16/h5-6,9H,7,10H2,1-4H3,(H,17,18)
InChIKeyLWPGJGODHJQJRN-UHFFFAOYSA-N
XLogP2.31
TPSA62.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-cyano-N-[2-(2,4-dimethylphenyl)-2-methylpropyl]acetamide
CID 115173418
1-amino-3-[2-(2-methoxy-5-methylphenyl)-2-methylpropyl]urea
CID 115193138
2-cyano-N-[2-(2-methoxy-5-methylphenyl)ethyl]acetamide
CID 94685624
2-cyano-N-[2-(3,4-dimethylphenyl)-2-methylpropyl]acetamide
CID 115173409
2-cyano-N-[2-(2,5-difluorophenyl)-2-methylpropyl]acetamide
CID 115173428
N-(bromomethyl)-2-(2-methoxy-5-methylphenyl)-2-methylpropan-1-amine
CID 115262514
3-cyano-N-[2-(2,4-dimethylphenyl)-2-methylpropyl]propanamide
CID 115174062
N-[(3-tert-butyl-4-methoxyphenyl)methylideneamino]-2-cyanoacetamide
CID 4661411
N-[2-(2,5-dimethylphenyl)-2-methylpropyl]-3-oxobutanamide
CID 115176650
N-[[4-[[2-(2-tert-butyl-4-methylphenoxy)acetyl]amino]phenyl]methyl]-2-cyanoacetamide
CID 108923158
2-cyano-N-[2-[4-[2-(2,5-dimethylphenoxy)ethoxy]-3-methoxyphenyl]ethyl]acetamide
CID 20986864
N-[[4-(2-tert-butyl-5-methylphenoxy)phenyl]methyl]-2-cyanoacetamide
CID 22682093

Frequently Asked Questions

What is the IUPAC name of 2-cyano-N-[2-(2-methoxy-5-methylphenyl)-2-methylpropyl]acetamide?
The IUPAC name of 2-cyano-N-[2-(2-methoxy-5-methylphenyl)-2-methylpropyl]acetamide (CID 115173415) is 2-cyano-N-[2-(2-methoxy-5-methylphenyl)-2-methylpropyl]acetamide.
What is the SMILES notation for 2-cyano-N-[2-(2-methoxy-5-methylphenyl)-2-methylpropyl]acetamide?
The canonical SMILES for 2-cyano-N-[2-(2-methoxy-5-methylphenyl)-2-methylpropyl]acetamide is COc1ccc(C)cc1C(C)(C)CNC(=O)CC#N.
What is the InChIKey of 2-cyano-N-[2-(2-methoxy-5-methylphenyl)-2-methylpropyl]acetamide?
The InChIKey is LWPGJGODHJQJRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O2/c1-11-5-6-13(19-4)12(9-11)15(2,3)10-17-14(18)7-8-16/h5-6,9H,7,10H2,1-4H3,(H,17,18).
What are the key properties of 2-cyano-N-[2-(2-methoxy-5-methylphenyl)-2-methylpropyl]acetamide?
2-cyano-N-[2-(2-methoxy-5-methylphenyl)-2-methylpropyl]acetamide has a molecular weight of 260.34 g/mol, XLogP of 2.31, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-N-[2-(2-methoxy-5-methylphenyl)-2-methylpropyl]acetamide is sourced from PubChem (CID 115173415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).