2-(2-formyl-4-methylphenoxy)-N-(2-methylbutan-2-yl)propanamide

C16H23NO3 — CID 63325789

IUPAC2-(2-formyl-4-methylphenoxy)-N-(2-methylbutan-2-yl)propanamide
SMILESCCC(C)(C)NC(=O)C(C)Oc1ccc(C)cc1C=O
InChIInChI=1S/C16H23NO3/c1-6-16(4,5)17-15(19)12(3)20-14-8-7-11(2)9-13(14)10-18/h7-10,12H,6H2,1-5H3,(H,17,19)
InChIKeyFMTHOYRIHWUNJT-UHFFFAOYSA-N
MW277.36 g/mol
LogP2.88
Rot. Bonds6

About 2-(2-formyl-4-methylphenoxy)-N-(2-methylbutan-2-yl)propanamide

2-(2-formyl-4-methylphenoxy)-N-(2-methylbutan-2-yl)propanamide (PubChem CID 63325789) has the molecular formula C16H23NO3 and a molecular weight of 277.36 g/mol. Its IUPAC name is 2-(2-formyl-4-methylphenoxy)-N-(2-methylbutan-2-yl)propanamide.

Molecular Properties

Compound Name2-(2-formyl-4-methylphenoxy)-N-(2-methylbutan-2-yl)propanamide
PubChem CID63325789
Molecular FormulaC16H23NO3
Molecular Weight277.36 g/mol
Exact Mass277.17
IUPAC Name2-(2-formyl-4-methylphenoxy)-N-(2-methylbutan-2-yl)propanamide
SMILESCCC(C)(C)NC(=O)C(C)Oc1ccc(C)cc1C=O
InChIInChI=1S/C16H23NO3/c1-6-16(4,5)17-15(19)12(3)20-14-8-7-11(2)9-13(14)10-18/h7-10,12H,6H2,1-5H3,(H,17,19)
InChIKeyFMTHOYRIHWUNJT-UHFFFAOYSA-N
XLogP2.88
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.36
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

2-[2-(hydroxymethyl)-4-methylphenoxy]-N-(2-methylbutan-2-yl)propanamide
CID 63325105
N-(1-amino-2-methylpropan-2-yl)-2-(2-bromo-4-methylphenoxy)propanamide
CID 119522000
3-bromo-4-[1-(2-methylbutan-2-ylamino)-1-oxopropan-2-yl]oxybenzoic acid
CID 63052137
2-[4-(aminomethyl)-2-fluorophenoxy]-N-(2-methylbutan-2-yl)propanamide
CID 107665393
2-[2-(1-aminoethyl)-4-bromophenoxy]-N-(2-methylbutan-2-yl)propanamide
CID 62369855
2-(3-iodophenoxy)-N-(2-methylbutan-2-yl)propanamide
CID 61400047
2-[4-(hydroxymethyl)-2,6-dimethylphenoxy]-N-(2-methylbutan-2-yl)propanamide
CID 43118005
2-[5-fluoro-2-[(1S)-1-hydroxyethyl]phenoxy]-N-(2-methylbutan-2-yl)propanamide
CID 63366211
2-(2-amino-4,5-dichlorophenoxy)-N-(2-methylbutan-2-yl)propanamide
CID 107497904
2-(3-acetylphenoxy)-N-(2-methylbutan-2-yl)propanamide
CID 43112351
3-[2-[1-(ethylamino)-1-oxopropan-2-yl]oxy-5-methylphenyl]prop-2-enoic acid
CID 77011446
2-[2-[1-(methylamino)ethyl]phenoxy]-N-(2-methylbutan-2-yl)propanamide
CID 43279519

Frequently Asked Questions

What is the IUPAC name of 2-(2-formyl-4-methylphenoxy)-N-(2-methylbutan-2-yl)propanamide?
The IUPAC name of 2-(2-formyl-4-methylphenoxy)-N-(2-methylbutan-2-yl)propanamide (CID 63325789) is 2-(2-formyl-4-methylphenoxy)-N-(2-methylbutan-2-yl)propanamide.
What is the SMILES notation for 2-(2-formyl-4-methylphenoxy)-N-(2-methylbutan-2-yl)propanamide?
The canonical SMILES for 2-(2-formyl-4-methylphenoxy)-N-(2-methylbutan-2-yl)propanamide is CCC(C)(C)NC(=O)C(C)Oc1ccc(C)cc1C=O.
What is the InChIKey of 2-(2-formyl-4-methylphenoxy)-N-(2-methylbutan-2-yl)propanamide?
The InChIKey is FMTHOYRIHWUNJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO3/c1-6-16(4,5)17-15(19)12(3)20-14-8-7-11(2)9-13(14)10-18/h7-10,12H,6H2,1-5H3,(H,17,19).
What are the key properties of 2-(2-formyl-4-methylphenoxy)-N-(2-methylbutan-2-yl)propanamide?
2-(2-formyl-4-methylphenoxy)-N-(2-methylbutan-2-yl)propanamide has a molecular weight of 277.36 g/mol, XLogP of 2.88, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-formyl-4-methylphenoxy)-N-(2-methylbutan-2-yl)propanamide is sourced from PubChem (CID 63325789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).