N-[4-(cyanomethyl)phenyl]-2-(5-methyl-2-propan-2-ylphenoxy)propanamide

C21H24N2O2 — CID 133261993

IUPACN-[4-(cyanomethyl)phenyl]-2-(5-methyl-2-propan-2-ylphenoxy)propanamide
SMILESCc1ccc(C(C)C)c(OC(C)C(=O)Nc2ccc(CC#N)cc2)c1
InChIInChI=1S/C21H24N2O2/c1-14(2)19-10-5-15(3)13-20(19)25-16(4)21(24)23-18-8-6-17(7-9-18)11-12-22/h5-10,13-14,16H,11H2,1-4H3,(H,23,24)
InChIKeyJNOLIVIGZWPETD-UHFFFAOYSA-N
MW336.44 g/mol
LogP4.59
Rot. Bonds6

About N-[4-(cyanomethyl)phenyl]-2-(5-methyl-2-propan-2-ylphenoxy)propanamide

N-[4-(cyanomethyl)phenyl]-2-(5-methyl-2-propan-2-ylphenoxy)propanamide (PubChem CID 133261993) has the molecular formula C21H24N2O2 and a molecular weight of 336.44 g/mol. Its IUPAC name is N-[4-(cyanomethyl)phenyl]-2-(5-methyl-2-propan-2-ylphenoxy)propanamide.

Molecular Properties

Compound NameN-[4-(cyanomethyl)phenyl]-2-(5-methyl-2-propan-2-ylphenoxy)propanamide
PubChem CID133261993
Molecular FormulaC21H24N2O2
Molecular Weight336.44 g/mol
Exact Mass336.18
IUPAC NameN-[4-(cyanomethyl)phenyl]-2-(5-methyl-2-propan-2-ylphenoxy)propanamide
SMILESCc1ccc(C(C)C)c(OC(C)C(=O)Nc2ccc(CC#N)cc2)c1
InChIInChI=1S/C21H24N2O2/c1-14(2)19-10-5-15(3)13-20(19)25-16(4)21(24)23-18-8-6-17(7-9-18)11-12-22/h5-10,13-14,16H,11H2,1-4H3,(H,23,24)
InChIKeyJNOLIVIGZWPETD-UHFFFAOYSA-N
XLogP4.59
TPSA62.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.44
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-N-[4-(cyanomethyl)phenyl]-2-(2,3,5-trimethylphenoxy)propanamide
CID 94019220
(2S)-2-(5-methyl-2-propan-2-ylphenoxy)-N-[4-(pyridin-4-ylmethyl)phenyl]propanamide
CID 100558876
ethyl 4-[2-(5-methyl-2-propan-2-ylphenoxy)propanoylamino]benzoate
CID 133162806
N-[4-(cyanomethyl)phenyl]-2-[(5-methyl-2-propan-2-ylphenoxy)methyl]benzamide
CID 5303014
(2R)-N-[4-(cyanomethyl)phenyl]-2-(2,3-dimethylphenoxy)propanamide
CID 28957353
N-(3,4-difluorophenyl)-2-(5-methyl-2-propan-2-ylphenoxy)propanamide
CID 133219312
N-[3-(3-cyanopropoxy)phenyl]-2-(5-methyl-2-propan-2-ylphenoxy)propanamide
CID 55878338
2-(5-methyl-2-propan-2-ylphenoxy)-N-(4-pyrrolidin-1-ylphenyl)propanamide
CID 133166790
(2S)-2-(5-methyl-2-propan-2-ylphenoxy)-N-(4-piperidin-1-ylphenyl)propanamide
CID 100516543
2-(2,5-dimethylphenoxy)-N-[4-[2-(2,5-dimethylphenoxy)propanoylamino]phenyl]propanamide
CID 4945097
(2R)-N-(3-methoxyphenyl)-2-(5-methyl-2-propan-2-ylphenoxy)propanamide
CID 95310662
2-acetamido-N-[4-(cyanomethyl)phenyl]propanamide
CID 134052820

Frequently Asked Questions

What is the IUPAC name of N-[4-(cyanomethyl)phenyl]-2-(5-methyl-2-propan-2-ylphenoxy)propanamide?
The IUPAC name of N-[4-(cyanomethyl)phenyl]-2-(5-methyl-2-propan-2-ylphenoxy)propanamide (CID 133261993) is N-[4-(cyanomethyl)phenyl]-2-(5-methyl-2-propan-2-ylphenoxy)propanamide.
What is the SMILES notation for N-[4-(cyanomethyl)phenyl]-2-(5-methyl-2-propan-2-ylphenoxy)propanamide?
The canonical SMILES for N-[4-(cyanomethyl)phenyl]-2-(5-methyl-2-propan-2-ylphenoxy)propanamide is Cc1ccc(C(C)C)c(OC(C)C(=O)Nc2ccc(CC#N)cc2)c1.
What is the InChIKey of N-[4-(cyanomethyl)phenyl]-2-(5-methyl-2-propan-2-ylphenoxy)propanamide?
The InChIKey is JNOLIVIGZWPETD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O2/c1-14(2)19-10-5-15(3)13-20(19)25-16(4)21(24)23-18-8-6-17(7-9-18)11-12-22/h5-10,13-14,16H,11H2,1-4H3,(H,23,24).
What are the key properties of N-[4-(cyanomethyl)phenyl]-2-(5-methyl-2-propan-2-ylphenoxy)propanamide?
N-[4-(cyanomethyl)phenyl]-2-(5-methyl-2-propan-2-ylphenoxy)propanamide has a molecular weight of 336.44 g/mol, XLogP of 4.59, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(cyanomethyl)phenyl]-2-(5-methyl-2-propan-2-ylphenoxy)propanamide is sourced from PubChem (CID 133261993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).