3-(4-methylphenyl)-2,2-diphenyl-N-(4-propan-2-yloxyphenyl)propanamide

C31H31NO2 — CID 100781946

IUPAC3-(4-methylphenyl)-2,2-diphenyl-N-(4-propan-2-yloxyphenyl)propanamide
SMILESCc1ccc(CC(C(=O)Nc2ccc(OC(C)C)cc2)(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C31H31NO2/c1-23(2)34-29-20-18-28(19-21-29)32-30(33)31(26-10-6-4-7-11-26,27-12-8-5-9-13-27)22-25-16-14-24(3)15-17-25/h4-21,23H,22H2,1-3H3,(H,32,33)
InChIKeyRUPXYKFENPNKAP-UHFFFAOYSA-N
MW449.59 g/mol
LogP6.95
Rot. Bonds8

About 3-(4-methylphenyl)-2,2-diphenyl-N-(4-propan-2-yloxyphenyl)propanamide

3-(4-methylphenyl)-2,2-diphenyl-N-(4-propan-2-yloxyphenyl)propanamide (PubChem CID 100781946) has the molecular formula C31H31NO2 and a molecular weight of 449.59 g/mol. Its IUPAC name is 3-(4-methylphenyl)-2,2-diphenyl-N-(4-propan-2-yloxyphenyl)propanamide.

Molecular Properties

Compound Name3-(4-methylphenyl)-2,2-diphenyl-N-(4-propan-2-yloxyphenyl)propanamide
PubChem CID100781946
Molecular FormulaC31H31NO2
Molecular Weight449.59 g/mol
Exact Mass449.24
IUPAC Name3-(4-methylphenyl)-2,2-diphenyl-N-(4-propan-2-yloxyphenyl)propanamide
SMILESCc1ccc(CC(C(=O)Nc2ccc(OC(C)C)cc2)(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C31H31NO2/c1-23(2)34-29-20-18-28(19-21-29)32-30(33)31(26-10-6-4-7-11-26,27-12-8-5-9-13-27)22-25-16-14-24(3)15-17-25/h4-21,23H,22H2,1-3H3,(H,32,33)
InChIKeyRUPXYKFENPNKAP-UHFFFAOYSA-N
XLogP6.95
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500449.59
LogP ≤ 56.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2,2-diphenyl-N-(4-propan-2-yloxyphenyl)pent-4-enamide
CID 100781703
3-(4-chlorophenyl)-N-(4-ethoxyphenyl)-2,2-diphenylpropanamide
CID 100781828
1-(2-methyl-2-phenylpropyl)-3-(4-propan-2-yloxyphenyl)urea
CID 113213293
2-benzyl-N-(4-methoxyphenyl)-2,3-diphenylpropanamide
CID 100782798
N-(4-methylphenyl)-2-phenoxypropanamide
CID 4639701
2-[2-oxo-2-(4-propan-2-yloxyanilino)ethyl]sulfanyl-N-phenylacetamide
CID 7746770
N-(4-methoxyphenyl)-3-(4-methylphenyl)-3-(4-propan-2-yloxyphenyl)propanamide
CID 3697490
3-amino-2,2,3-trimethyl-N-(4-propan-2-yloxyphenyl)butanamide
CID 65264385
2-oxo-2-(4-propan-2-yloxyanilino)acetic acid
CID 28710622
N,N'-bis(4-propan-2-yloxyphenyl)butanediamide
CID 17340345
2,2-dimethyl-N-[2-oxo-2-(4-propan-2-yloxyanilino)ethyl]propanamide
CID 112999062
1-N-benzyl-4-N-(4-propan-2-yloxyphenyl)benzene-1,4-dicarboxamide
CID 109046741

Frequently Asked Questions

What is the IUPAC name of 3-(4-methylphenyl)-2,2-diphenyl-N-(4-propan-2-yloxyphenyl)propanamide?
The IUPAC name of 3-(4-methylphenyl)-2,2-diphenyl-N-(4-propan-2-yloxyphenyl)propanamide (CID 100781946) is 3-(4-methylphenyl)-2,2-diphenyl-N-(4-propan-2-yloxyphenyl)propanamide.
What is the SMILES notation for 3-(4-methylphenyl)-2,2-diphenyl-N-(4-propan-2-yloxyphenyl)propanamide?
The canonical SMILES for 3-(4-methylphenyl)-2,2-diphenyl-N-(4-propan-2-yloxyphenyl)propanamide is Cc1ccc(CC(C(=O)Nc2ccc(OC(C)C)cc2)(c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of 3-(4-methylphenyl)-2,2-diphenyl-N-(4-propan-2-yloxyphenyl)propanamide?
The InChIKey is RUPXYKFENPNKAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H31NO2/c1-23(2)34-29-20-18-28(19-21-29)32-30(33)31(26-10-6-4-7-11-26,27-12-8-5-9-13-27)22-25-16-14-24(3)15-17-25/h4-21,23H,22H2,1-3H3,(H,32,33).
What are the key properties of 3-(4-methylphenyl)-2,2-diphenyl-N-(4-propan-2-yloxyphenyl)propanamide?
3-(4-methylphenyl)-2,2-diphenyl-N-(4-propan-2-yloxyphenyl)propanamide has a molecular weight of 449.59 g/mol, XLogP of 6.95, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methylphenyl)-2,2-diphenyl-N-(4-propan-2-yloxyphenyl)propanamide is sourced from PubChem (CID 100781946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).