3-cyano-N-[(2,3,5,6-tetramethylphenyl)methyl]propanamide

C15H20N2O — CID 115173755

IUPAC3-cyano-N-[(2,3,5,6-tetramethylphenyl)methyl]propanamide
SMILESCc1cc(C)c(C)c(CNC(=O)CCC#N)c1C
InChIInChI=1S/C15H20N2O/c1-10-8-11(2)13(4)14(12(10)3)9-17-15(18)6-5-7-16/h8H,5-6,9H2,1-4H3,(H,17,18)
InChIKeyRHMKEGHDJQYQFD-UHFFFAOYSA-N
MW244.34 g/mol
LogP2.84
Rot. Bonds4

About 3-cyano-N-[(2,3,5,6-tetramethylphenyl)methyl]propanamide

3-cyano-N-[(2,3,5,6-tetramethylphenyl)methyl]propanamide (PubChem CID 115173755) has the molecular formula C15H20N2O and a molecular weight of 244.34 g/mol. Its IUPAC name is 3-cyano-N-[(2,3,5,6-tetramethylphenyl)methyl]propanamide.

Molecular Properties

Compound Name3-cyano-N-[(2,3,5,6-tetramethylphenyl)methyl]propanamide
PubChem CID115173755
Molecular FormulaC15H20N2O
Molecular Weight244.34 g/mol
Exact Mass244.16
IUPAC Name3-cyano-N-[(2,3,5,6-tetramethylphenyl)methyl]propanamide
SMILESCc1cc(C)c(C)c(CNC(=O)CCC#N)c1C
InChIInChI=1S/C15H20N2O/c1-10-8-11(2)13(4)14(12(10)3)9-17-15(18)6-5-7-16/h8H,5-6,9H2,1-4H3,(H,17,18)
InChIKeyRHMKEGHDJQYQFD-UHFFFAOYSA-N
XLogP2.84
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.34
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-chloro-N-[(2,3,5,6-tetramethylphenyl)methyl]propanamide
CID 115162496
3-cyano-N-[(2,4-dimethoxy-6-methylphenyl)methyl]propanamide
CID 115173817
3-cyano-N-[(3-methylthiophen-2-yl)methyl]propanamide
CID 115173840
N-[(2,3,5,6-tetramethylphenyl)methyl]carbamoyl bromide
CID 115193571
2-(propan-2-ylamino)-N-[(2,3,5,6-tetramethylphenyl)methyl]acetamide
CID 115158228
3-cyano-N-[2-(2,4-dimethylphenyl)-2-methylpropyl]propanamide
CID 115174062
N-(2-cyanoethyl)-2-(2,3,5,6-tetramethylphenyl)sulfanylacetamide
CID 7892944
3-cyano-N-(pyridin-4-ylmethyl)propanamide
CID 82111754
3-cyano-N-[2-(2-methoxy-4,5-dimethylphenyl)ethyl]propanamide
CID 115173936
2-cyano-N-[(4-methoxy-2,3,6-trimethylphenyl)methyl]acetamide
CID 115173142
N-[(2-methoxy-3,4,6-trimethylphenyl)methyl]-3-(methylamino)propanamide
CID 115153253
N-(cyanomethyl)-2,3,5,6-tetramethylbenzamide
CID 82471529

Frequently Asked Questions

What is the IUPAC name of 3-cyano-N-[(2,3,5,6-tetramethylphenyl)methyl]propanamide?
The IUPAC name of 3-cyano-N-[(2,3,5,6-tetramethylphenyl)methyl]propanamide (CID 115173755) is 3-cyano-N-[(2,3,5,6-tetramethylphenyl)methyl]propanamide.
What is the SMILES notation for 3-cyano-N-[(2,3,5,6-tetramethylphenyl)methyl]propanamide?
The canonical SMILES for 3-cyano-N-[(2,3,5,6-tetramethylphenyl)methyl]propanamide is Cc1cc(C)c(C)c(CNC(=O)CCC#N)c1C.
What is the InChIKey of 3-cyano-N-[(2,3,5,6-tetramethylphenyl)methyl]propanamide?
The InChIKey is RHMKEGHDJQYQFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O/c1-10-8-11(2)13(4)14(12(10)3)9-17-15(18)6-5-7-16/h8H,5-6,9H2,1-4H3,(H,17,18).
What are the key properties of 3-cyano-N-[(2,3,5,6-tetramethylphenyl)methyl]propanamide?
3-cyano-N-[(2,3,5,6-tetramethylphenyl)methyl]propanamide has a molecular weight of 244.34 g/mol, XLogP of 2.84, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyano-N-[(2,3,5,6-tetramethylphenyl)methyl]propanamide is sourced from PubChem (CID 115173755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).