N-(5-tert-butyl-2-methoxyphenyl)-3,3-diphenylpropanamide

C26H29NO2 — CID 2457700

IUPACN-(5-tert-butyl-2-methoxyphenyl)-3,3-diphenylpropanamide
SMILESCOc1ccc(C(C)(C)C)cc1NC(=O)CC(c1ccccc1)c1ccccc1
InChIInChI=1S/C26H29NO2/c1-26(2,3)21-15-16-24(29-4)23(17-21)27-25(28)18-22(19-11-7-5-8-12-19)20-13-9-6-10-14-20/h5-17,22H,18H2,1-4H3,(H,27,28)
InChIKeyNKXUXFLZXJSHMW-UHFFFAOYSA-N
MW387.52 g/mol
LogP6.15
Rot. Bonds6

About N-(5-tert-butyl-2-methoxyphenyl)-3,3-diphenylpropanamide

N-(5-tert-butyl-2-methoxyphenyl)-3,3-diphenylpropanamide (PubChem CID 2457700) has the molecular formula C26H29NO2 and a molecular weight of 387.52 g/mol. Its IUPAC name is N-(5-tert-butyl-2-methoxyphenyl)-3,3-diphenylpropanamide.

Molecular Properties

Compound NameN-(5-tert-butyl-2-methoxyphenyl)-3,3-diphenylpropanamide
PubChem CID2457700
Molecular FormulaC26H29NO2
Molecular Weight387.52 g/mol
Exact Mass387.22
IUPAC NameN-(5-tert-butyl-2-methoxyphenyl)-3,3-diphenylpropanamide
SMILESCOc1ccc(C(C)(C)C)cc1NC(=O)CC(c1ccccc1)c1ccccc1
InChIInChI=1S/C26H29NO2/c1-26(2,3)21-15-16-24(29-4)23(17-21)27-25(28)18-22(19-11-7-5-8-12-19)20-13-9-6-10-14-20/h5-17,22H,18H2,1-4H3,(H,27,28)
InChIKeyNKXUXFLZXJSHMW-UHFFFAOYSA-N
XLogP6.15
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500387.52
LogP ≤ 56.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[5-(dimethylsulfamoyl)-2-methoxyphenyl]-3,3-diphenylpropanamide
CID 26205505
N-(5-tert-butyl-2-methoxyphenyl)-2-phenylpentanamide
CID 4836017
N-(5-tert-butyl-2-methoxyphenyl)-2-methoxyacetamide
CID 24657024
N-(5-tert-butyl-2-methoxyphenyl)-3-phenoxypropanamide
CID 4856932
methyl 4-(5-tert-butyl-2-methoxyanilino)-4-oxobutanoate
CID 110776706
(3R)-N-(2-methoxy-5-nitrophenyl)-3-(4-methoxyphenyl)-3-phenylpropanamide
CID 1307684
(3S)-N-(2,4-dimethoxyphenyl)-3-(4-methoxyphenyl)-3-phenylpropanamide
CID 1309526
3-amino-N-(2,5-dimethoxyphenyl)-3-phenylpropanamide
CID 43822665
N-(5-tert-butyl-2-methoxyphenyl)-2-(naphthalen-1-ylamino)acetamide
CID 2456629
N-(5-tert-butyl-2-methoxyphenyl)-2-pyrimidin-2-ylsulfanylacetamide
CID 7995313
3-(2-hydroxyphenyl)-N-(2-methoxyphenyl)-3-phenylpropanamide
CID 4136939
N-(5-tert-butyl-2-methoxyphenyl)-3-cyanopropanamide
CID 115173479

Frequently Asked Questions

What is the IUPAC name of N-(5-tert-butyl-2-methoxyphenyl)-3,3-diphenylpropanamide?
The IUPAC name of N-(5-tert-butyl-2-methoxyphenyl)-3,3-diphenylpropanamide (CID 2457700) is N-(5-tert-butyl-2-methoxyphenyl)-3,3-diphenylpropanamide.
What is the SMILES notation for N-(5-tert-butyl-2-methoxyphenyl)-3,3-diphenylpropanamide?
The canonical SMILES for N-(5-tert-butyl-2-methoxyphenyl)-3,3-diphenylpropanamide is COc1ccc(C(C)(C)C)cc1NC(=O)CC(c1ccccc1)c1ccccc1.
What is the InChIKey of N-(5-tert-butyl-2-methoxyphenyl)-3,3-diphenylpropanamide?
The InChIKey is NKXUXFLZXJSHMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29NO2/c1-26(2,3)21-15-16-24(29-4)23(17-21)27-25(28)18-22(19-11-7-5-8-12-19)20-13-9-6-10-14-20/h5-17,22H,18H2,1-4H3,(H,27,28).
What are the key properties of N-(5-tert-butyl-2-methoxyphenyl)-3,3-diphenylpropanamide?
N-(5-tert-butyl-2-methoxyphenyl)-3,3-diphenylpropanamide has a molecular weight of 387.52 g/mol, XLogP of 6.15, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-tert-butyl-2-methoxyphenyl)-3,3-diphenylpropanamide is sourced from PubChem (CID 2457700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).