N-[[4-(3-methylphenyl)oxan-4-yl]methyl]-2-(4-phenylphenyl)acetamide

C27H29NO2 — CID 100517750

IUPACN-[[4-(3-methylphenyl)oxan-4-yl]methyl]-2-(4-phenylphenyl)acetamide
SMILESCc1cccc(C2(CNC(=O)Cc3ccc(-c4ccccc4)cc3)CCOCC2)c1
InChIInChI=1S/C27H29NO2/c1-21-6-5-9-25(18-21)27(14-16-30-17-15-27)20-28-26(29)19-22-10-12-24(13-11-22)23-7-3-2-4-8-23/h2-13,18H,14-17,19-20H2,1H3,(H,28,29)
InChIKeyWRHIWPPDZDTKHG-UHFFFAOYSA-N
MW399.53 g/mol
LogP5.07
Rot. Bonds6

About N-[[4-(3-methylphenyl)oxan-4-yl]methyl]-2-(4-phenylphenyl)acetamide

N-[[4-(3-methylphenyl)oxan-4-yl]methyl]-2-(4-phenylphenyl)acetamide (PubChem CID 100517750) has the molecular formula C27H29NO2 and a molecular weight of 399.53 g/mol. Its IUPAC name is N-[[4-(3-methylphenyl)oxan-4-yl]methyl]-2-(4-phenylphenyl)acetamide.

Molecular Properties

Compound NameN-[[4-(3-methylphenyl)oxan-4-yl]methyl]-2-(4-phenylphenyl)acetamide
PubChem CID100517750
Molecular FormulaC27H29NO2
Molecular Weight399.53 g/mol
Exact Mass399.22
IUPAC NameN-[[4-(3-methylphenyl)oxan-4-yl]methyl]-2-(4-phenylphenyl)acetamide
SMILESCc1cccc(C2(CNC(=O)Cc3ccc(-c4ccccc4)cc3)CCOCC2)c1
InChIInChI=1S/C27H29NO2/c1-21-6-5-9-25(18-21)27(14-16-30-17-15-27)20-28-26(29)19-22-10-12-24(13-11-22)23-7-3-2-4-8-23/h2-13,18H,14-17,19-20H2,1H3,(H,28,29)
InChIKeyWRHIWPPDZDTKHG-UHFFFAOYSA-N
XLogP5.07
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500399.53
LogP ≤ 55.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[4-(4-fluorophenyl)oxan-4-yl]methyl]-2-(3-methylphenyl)acetamide
CID 27450137
2-[(3-methylphenyl)methylsulfanyl]-N-[(4-phenyloxan-4-yl)methyl]acetamide
CID 95933084
2-(3-fluorophenyl)-N-[(4-phenyloxan-4-yl)methyl]acetamide
CID 110739567
2-iodo-4-methyl-N-[[4-(3-methylphenyl)oxan-4-yl]methyl]benzamide
CID 100528479
N-methyl-1-[4-(3-methylphenyl)oxan-4-yl]methanamine
CID 62596266
1-[(4-hydroxyoxan-4-yl)methyl]-3-[[1-(3-methylphenyl)cyclopentyl]methyl]urea
CID 110936718
4-phenyl-N-[(4-phenyloxan-4-yl)methyl]oxane-4-carboxamide
CID 1082209
2-methyl-N-[[4-(3-methylphenyl)oxan-4-yl]methyl]propan-2-amine
CID 62594988
4-ethyl-4-(3-methylphenyl)oxane
CID 143442460
2-(4-aminophenyl)-N-[[4-(2-methylphenyl)oxan-4-yl]methyl]acetamide
CID 119749794
N-[[1-(3-methylphenyl)cyclohexyl]methyl]-3-(4-morpholin-4-ylsulfonylphenyl)propanamide
CID 55802503
1-amino-N-[(4-phenyloxan-4-yl)methyl]cyclopentane-1-carboxamide
CID 119293535

Frequently Asked Questions

What is the IUPAC name of N-[[4-(3-methylphenyl)oxan-4-yl]methyl]-2-(4-phenylphenyl)acetamide?
The IUPAC name of N-[[4-(3-methylphenyl)oxan-4-yl]methyl]-2-(4-phenylphenyl)acetamide (CID 100517750) is N-[[4-(3-methylphenyl)oxan-4-yl]methyl]-2-(4-phenylphenyl)acetamide.
What is the SMILES notation for N-[[4-(3-methylphenyl)oxan-4-yl]methyl]-2-(4-phenylphenyl)acetamide?
The canonical SMILES for N-[[4-(3-methylphenyl)oxan-4-yl]methyl]-2-(4-phenylphenyl)acetamide is Cc1cccc(C2(CNC(=O)Cc3ccc(-c4ccccc4)cc3)CCOCC2)c1.
What is the InChIKey of N-[[4-(3-methylphenyl)oxan-4-yl]methyl]-2-(4-phenylphenyl)acetamide?
The InChIKey is WRHIWPPDZDTKHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H29NO2/c1-21-6-5-9-25(18-21)27(14-16-30-17-15-27)20-28-26(29)19-22-10-12-24(13-11-22)23-7-3-2-4-8-23/h2-13,18H,14-17,19-20H2,1H3,(H,28,29).
What are the key properties of N-[[4-(3-methylphenyl)oxan-4-yl]methyl]-2-(4-phenylphenyl)acetamide?
N-[[4-(3-methylphenyl)oxan-4-yl]methyl]-2-(4-phenylphenyl)acetamide has a molecular weight of 399.53 g/mol, XLogP of 5.07, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(3-methylphenyl)oxan-4-yl]methyl]-2-(4-phenylphenyl)acetamide is sourced from PubChem (CID 100517750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).