3-(4-tert-butylphenoxy)-N-(4-methylphenyl)propanamide

C20H25NO2 — CID 18266665

IUPAC3-(4-tert-butylphenoxy)-N-(4-methylphenyl)propanamide
SMILESCc1ccc(NC(=O)CCOc2ccc(C(C)(C)C)cc2)cc1
InChIInChI=1S/C20H25NO2/c1-15-5-9-17(10-6-15)21-19(22)13-14-23-18-11-7-16(8-12-18)20(2,3)4/h5-12H,13-14H2,1-4H3,(H,21,22)
InChIKeyLRPNUABNAWNZFF-UHFFFAOYSA-N
MW311.43 g/mol
LogP4.70
Rot. Bonds5

About 3-(4-tert-butylphenoxy)-N-(4-methylphenyl)propanamide

3-(4-tert-butylphenoxy)-N-(4-methylphenyl)propanamide (PubChem CID 18266665) has the molecular formula C20H25NO2 and a molecular weight of 311.43 g/mol. Its IUPAC name is 3-(4-tert-butylphenoxy)-N-(4-methylphenyl)propanamide.

Molecular Properties

Compound Name3-(4-tert-butylphenoxy)-N-(4-methylphenyl)propanamide
PubChem CID18266665
Molecular FormulaC20H25NO2
Molecular Weight311.43 g/mol
Exact Mass311.19
IUPAC Name3-(4-tert-butylphenoxy)-N-(4-methylphenyl)propanamide
SMILESCc1ccc(NC(=O)CCOc2ccc(C(C)(C)C)cc2)cc1
InChIInChI=1S/C20H25NO2/c1-15-5-9-17(10-6-15)21-19(22)13-14-23-18-11-7-16(8-12-18)20(2,3)4/h5-12H,13-14H2,1-4H3,(H,21,22)
InChIKeyLRPNUABNAWNZFF-UHFFFAOYSA-N
XLogP4.70
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.43
LogP ≤ 54.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-tert-butylphenyl)-3-phenoxypropanamide
CID 7658805
3-(4-fluorophenoxy)-N-(4-methylphenyl)propanamide
CID 31855578
3-(4-methylphenoxy)-N-(4-phenylphenyl)propanamide
CID 18276176
N-(4-butoxyphenyl)-4-(4-tert-butylphenoxy)butanamide
CID 19173570
2-[4-[3-(4-methylphenoxy)propanoylamino]phenyl]acetic acid
CID 45346370
N'-(4-tert-butylphenyl)-N-(4-methylphenyl)decanediamide
CID 173311186
[(2S)-1-(4-methylanilino)-1-oxopropan-2-yl] 3-(4-tert-butylphenoxy)propanoate
CID 7855941
[(2R)-1-(4-methylanilino)-1-oxopropan-2-yl] 3-(4-tert-butylphenoxy)propanoate
CID 7855940
3-(4-methylphenoxy)-N-(4-phenylmethoxyphenyl)propanamide
CID 7963977
3-(4-tert-butylphenoxy)-N-(6-methoxy-3-pyridinyl)propanamide
CID 18289170
methyl 4-[4-(4-tert-butylphenoxy)butanoylamino]benzoate
CID 19173575
4-[4-(4-tert-butylphenoxy)butanoylamino]benzamide
CID 2677123

Frequently Asked Questions

What is the IUPAC name of 3-(4-tert-butylphenoxy)-N-(4-methylphenyl)propanamide?
The IUPAC name of 3-(4-tert-butylphenoxy)-N-(4-methylphenyl)propanamide (CID 18266665) is 3-(4-tert-butylphenoxy)-N-(4-methylphenyl)propanamide.
What is the SMILES notation for 3-(4-tert-butylphenoxy)-N-(4-methylphenyl)propanamide?
The canonical SMILES for 3-(4-tert-butylphenoxy)-N-(4-methylphenyl)propanamide is Cc1ccc(NC(=O)CCOc2ccc(C(C)(C)C)cc2)cc1.
What is the InChIKey of 3-(4-tert-butylphenoxy)-N-(4-methylphenyl)propanamide?
The InChIKey is LRPNUABNAWNZFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25NO2/c1-15-5-9-17(10-6-15)21-19(22)13-14-23-18-11-7-16(8-12-18)20(2,3)4/h5-12H,13-14H2,1-4H3,(H,21,22).
What are the key properties of 3-(4-tert-butylphenoxy)-N-(4-methylphenyl)propanamide?
3-(4-tert-butylphenoxy)-N-(4-methylphenyl)propanamide has a molecular weight of 311.43 g/mol, XLogP of 4.70, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-tert-butylphenoxy)-N-(4-methylphenyl)propanamide is sourced from PubChem (CID 18266665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).