N-tert-butyl-2-cyano-3-(4-methylphenyl)propanamide

C15H20N2O — CID 82118130

IUPACN-tert-butyl-2-cyano-3-(4-methylphenyl)propanamide
SMILESCc1ccc(CC(C#N)C(=O)NC(C)(C)C)cc1
InChIInChI=1S/C15H20N2O/c1-11-5-7-12(8-6-11)9-13(10-16)14(18)17-15(2,3)4/h5-8,13H,9H2,1-4H3,(H,17,18)
InChIKeyKHYMQFRQJLZPRY-UHFFFAOYSA-N
MW244.34 g/mol
LogP2.59
Rot. Bonds3

About N-tert-butyl-2-cyano-3-(4-methylphenyl)propanamide

N-tert-butyl-2-cyano-3-(4-methylphenyl)propanamide (PubChem CID 82118130) has the molecular formula C15H20N2O and a molecular weight of 244.34 g/mol. Its IUPAC name is N-tert-butyl-2-cyano-3-(4-methylphenyl)propanamide.

Molecular Properties

Compound NameN-tert-butyl-2-cyano-3-(4-methylphenyl)propanamide
PubChem CID82118130
Molecular FormulaC15H20N2O
Molecular Weight244.34 g/mol
Exact Mass244.16
IUPAC NameN-tert-butyl-2-cyano-3-(4-methylphenyl)propanamide
SMILESCc1ccc(CC(C#N)C(=O)NC(C)(C)C)cc1
InChIInChI=1S/C15H20N2O/c1-11-5-7-12(8-6-11)9-13(10-16)14(18)17-15(2,3)4/h5-8,13H,9H2,1-4H3,(H,17,18)
InChIKeyKHYMQFRQJLZPRY-UHFFFAOYSA-N
XLogP2.59
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.34
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-cyano-3-(4-methylphenyl)-N-propan-2-ylpropanamide
CID 82115695
2-cyano-3-(4-methylphenyl)propanamide
CID 121217853
2-cyano-N-cyclopentyl-3-(4-methylphenyl)propanamide
CID 82120555
(2S)-2-cyano-N-(2-methoxyphenyl)-3-(4-methylphenyl)propanamide
CID 763342
N-tert-butyl-2-[(4-methylphenyl)methylamino]propanamide
CID 43087569
2-[(4-methylphenyl)methyl]-3-oxo-3-pyrrolidin-1-ylpropanenitrile
CID 82117724
3-(4-chlorophenyl)-2-cyano-N-propan-2-ylpropanamide
CID 82119393
tert-butyl N-[(1S)-1-cyano-2-(4-methylphenyl)ethyl]carbamate
CID 138645608
3-(4-bromophenyl)-2-cyano-N-propan-2-ylpropanamide
CID 82124577
2-cyano-N-(2-hydroxypropyl)-3-phenylpropanamide
CID 107857151
2-cyano-N-(5-methyl-2-pyridinyl)-3-pyridin-4-ylpropanamide
CID 4674478
2-cyano-N-(2-methoxy-2-methylpropyl)-3-phenylpropanamide
CID 104761601

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-cyano-3-(4-methylphenyl)propanamide?
The IUPAC name of N-tert-butyl-2-cyano-3-(4-methylphenyl)propanamide (CID 82118130) is N-tert-butyl-2-cyano-3-(4-methylphenyl)propanamide.
What is the SMILES notation for N-tert-butyl-2-cyano-3-(4-methylphenyl)propanamide?
The canonical SMILES for N-tert-butyl-2-cyano-3-(4-methylphenyl)propanamide is Cc1ccc(CC(C#N)C(=O)NC(C)(C)C)cc1.
What is the InChIKey of N-tert-butyl-2-cyano-3-(4-methylphenyl)propanamide?
The InChIKey is KHYMQFRQJLZPRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O/c1-11-5-7-12(8-6-11)9-13(10-16)14(18)17-15(2,3)4/h5-8,13H,9H2,1-4H3,(H,17,18).
What are the key properties of N-tert-butyl-2-cyano-3-(4-methylphenyl)propanamide?
N-tert-butyl-2-cyano-3-(4-methylphenyl)propanamide has a molecular weight of 244.34 g/mol, XLogP of 2.59, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-cyano-3-(4-methylphenyl)propanamide is sourced from PubChem (CID 82118130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).