N-tert-butyl-3-(4-methoxyphenyl)-3-phenylpropanamide

C20H25NO2 — CID 2920507

IUPACN-tert-butyl-3-(4-methoxyphenyl)-3-phenylpropanamide
SMILESCOc1ccc(C(CC(=O)NC(C)(C)C)c2ccccc2)cc1
InChIInChI=1S/C20H25NO2/c1-20(2,3)21-19(22)14-18(15-8-6-5-7-9-15)16-10-12-17(23-4)13-11-16/h5-13,18H,14H2,1-4H3,(H,21,22)
InChIKeyYWBVCWCWVOKGDJ-UHFFFAOYSA-N
MW311.43 g/mol
LogP4.13
Rot. Bonds5

About N-tert-butyl-3-(4-methoxyphenyl)-3-phenylpropanamide

N-tert-butyl-3-(4-methoxyphenyl)-3-phenylpropanamide (PubChem CID 2920507) has the molecular formula C20H25NO2 and a molecular weight of 311.43 g/mol. Its IUPAC name is N-tert-butyl-3-(4-methoxyphenyl)-3-phenylpropanamide.

Molecular Properties

Compound NameN-tert-butyl-3-(4-methoxyphenyl)-3-phenylpropanamide
PubChem CID2920507
Molecular FormulaC20H25NO2
Molecular Weight311.43 g/mol
Exact Mass311.19
IUPAC NameN-tert-butyl-3-(4-methoxyphenyl)-3-phenylpropanamide
SMILESCOc1ccc(C(CC(=O)NC(C)(C)C)c2ccccc2)cc1
InChIInChI=1S/C20H25NO2/c1-20(2,3)21-19(22)14-18(15-8-6-5-7-9-15)16-10-12-17(23-4)13-11-16/h5-13,18H,14H2,1-4H3,(H,21,22)
InChIKeyYWBVCWCWVOKGDJ-UHFFFAOYSA-N
XLogP4.13
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 ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(4S)-N-tert-butyl-4-(4-methoxyphenyl)-2-oxo-4-phenylbutanamide
CID 134950823
N-[(1R)-1-(4-methoxyphenyl)ethyl]-3,3-diphenylpropanamide
CID 28572588
N-methoxy-3-(4-methoxyphenyl)-3-phenylpropanamide
CID 144913522
methyl (3S)-3-(4-methoxyphenyl)-3-phenylpropanoate
CID 134965407
N-hydroxy-3,3-bis(4-methoxyphenyl)propanamide
CID 57246344
N-tert-butyl-3-(methanesulfonamido)-3-(4-methoxyphenyl)propanamide
CID 133241816
(3S)-N-(2,4-dimethoxyphenyl)-3-(4-methoxyphenyl)-3-phenylpropanamide
CID 1309526
N-(2-methylbutan-2-yl)-3,3-diphenylpropanamide
CID 1292106
(3S)-3-(4-methoxyphenyl)-3-phenyl-N-(pyridin-2-ylmethyl)propanamide
CID 26404777
3-(1,3-benzodioxol-5-yl)-N-tert-butyl-3-phenylpropanamide
CID 45243758
(3S)-3-(2-hydroxyphenyl)-N-(4-methoxyphenyl)-3-phenylpropanamide
CID 740869
(3R)-3-(2-hydroxyphenyl)-N-(4-methoxyphenyl)-3-phenylpropanamide
CID 740870

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-3-(4-methoxyphenyl)-3-phenylpropanamide?
The IUPAC name of N-tert-butyl-3-(4-methoxyphenyl)-3-phenylpropanamide (CID 2920507) is N-tert-butyl-3-(4-methoxyphenyl)-3-phenylpropanamide.
What is the SMILES notation for N-tert-butyl-3-(4-methoxyphenyl)-3-phenylpropanamide?
The canonical SMILES for N-tert-butyl-3-(4-methoxyphenyl)-3-phenylpropanamide is COc1ccc(C(CC(=O)NC(C)(C)C)c2ccccc2)cc1.
What is the InChIKey of N-tert-butyl-3-(4-methoxyphenyl)-3-phenylpropanamide?
The InChIKey is YWBVCWCWVOKGDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25NO2/c1-20(2,3)21-19(22)14-18(15-8-6-5-7-9-15)16-10-12-17(23-4)13-11-16/h5-13,18H,14H2,1-4H3,(H,21,22).
What are the key properties of N-tert-butyl-3-(4-methoxyphenyl)-3-phenylpropanamide?
N-tert-butyl-3-(4-methoxyphenyl)-3-phenylpropanamide has a molecular weight of 311.43 g/mol, XLogP of 4.13, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-3-(4-methoxyphenyl)-3-phenylpropanamide is sourced from PubChem (CID 2920507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).