2-methyl-N-[(4-propan-2-ylphenyl)methyl]propanamide

C14H21NO — CID 59487519

IUPAC2-methyl-N-[(4-propan-2-ylphenyl)methyl]propanamide
SMILESCC(C)C(=O)NCc1ccc(C(C)C)cc1
InChIInChI=1S/C14H21NO/c1-10(2)13-7-5-12(6-8-13)9-15-14(16)11(3)4/h5-8,10-11H,9H2,1-4H3,(H,15,16)
InChIKeyJHAFLRJTQFXYGL-UHFFFAOYSA-N
MW219.33 g/mol
LogP3.08
Rot. Bonds4

About 2-methyl-N-[(4-propan-2-ylphenyl)methyl]propanamide

2-methyl-N-[(4-propan-2-ylphenyl)methyl]propanamide (PubChem CID 59487519) has the molecular formula C14H21NO and a molecular weight of 219.33 g/mol. Its IUPAC name is 2-methyl-N-[(4-propan-2-ylphenyl)methyl]propanamide.

Molecular Properties

Compound Name2-methyl-N-[(4-propan-2-ylphenyl)methyl]propanamide
PubChem CID59487519
Molecular FormulaC14H21NO
Molecular Weight219.33 g/mol
Exact Mass219.16
IUPAC Name2-methyl-N-[(4-propan-2-ylphenyl)methyl]propanamide
SMILESCC(C)C(=O)NCc1ccc(C(C)C)cc1
InChIInChI=1S/C14H21NO/c1-10(2)13-7-5-12(6-8-13)9-15-14(16)11(3)4/h5-8,10-11H,9H2,1-4H3,(H,15,16)
InChIKeyJHAFLRJTQFXYGL-UHFFFAOYSA-N
XLogP3.08
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.33
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-methoxy-N-[(4-propan-2-ylphenyl)methyl]propanamide
CID 112685779
N-[(4-propan-2-ylphenyl)methyl]carbamoyl chloride
CID 115194584
N-[(4-ethylsulfanylphenyl)methyl]-2-methylpropanamide
CID 110784543
N-benzyl-2-methylpropanamide;methane
CID 160760567
(2S)-2-amino-N-[(4-propan-2-ylphenyl)methyl]pentanamide
CID 107569508
[1-oxo-1-[(4-propan-2-ylphenyl)methylamino]propan-2-yl] dihydrogen phosphate
CID 168729163
6-amino-2-methyl-N-[(4-propan-2-ylphenyl)methyl]heptanamide
CID 65291164
(2R)-2-acetamido-3-methoxy-N-[(4-propan-2-ylphenyl)methyl]propanamide
CID 45486407
2-methyl-N-[[3-[(2-methylpropanoylamino)methyl]phenyl]methyl]propanamide
CID 4168870
2-methyl-N-[2-oxo-2-(4-propan-2-ylphenyl)ethyl]propanamide
CID 94266974
2-amino-N-[(4-propan-2-ylphenyl)methyl]-2-thiophen-2-ylacetamide
CID 115287113
2-(1,3-dioxoisoindol-2-yl)-N-[(4-propan-2-ylphenyl)methyl]propanamide
CID 2926881

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[(4-propan-2-ylphenyl)methyl]propanamide?
The IUPAC name of 2-methyl-N-[(4-propan-2-ylphenyl)methyl]propanamide (CID 59487519) is 2-methyl-N-[(4-propan-2-ylphenyl)methyl]propanamide.
What is the SMILES notation for 2-methyl-N-[(4-propan-2-ylphenyl)methyl]propanamide?
The canonical SMILES for 2-methyl-N-[(4-propan-2-ylphenyl)methyl]propanamide is CC(C)C(=O)NCc1ccc(C(C)C)cc1.
What is the InChIKey of 2-methyl-N-[(4-propan-2-ylphenyl)methyl]propanamide?
The InChIKey is JHAFLRJTQFXYGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO/c1-10(2)13-7-5-12(6-8-13)9-15-14(16)11(3)4/h5-8,10-11H,9H2,1-4H3,(H,15,16).
What are the key properties of 2-methyl-N-[(4-propan-2-ylphenyl)methyl]propanamide?
2-methyl-N-[(4-propan-2-ylphenyl)methyl]propanamide has a molecular weight of 219.33 g/mol, XLogP of 3.08, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[(4-propan-2-ylphenyl)methyl]propanamide is sourced from PubChem (CID 59487519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).