methane;1-(2-methyl-4-phenylmethoxyphenyl)-2-(4-phenylmethoxyanilino)propan-1-one

C31H33NO3 — CID 143735072

IUPACmethane;1-(2-methyl-4-phenylmethoxyphenyl)-2-(4-phenylmethoxyanilino)propan-1-one
SMILESC.Cc1cc(OCc2ccccc2)ccc1C(=O)C(C)Nc1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C30H29NO3.CH4/c1-22-19-28(34-21-25-11-7-4-8-12-25)17-18-29(22)30(32)23(2)31-26-13-15-27(16-14-26)33-20-24-9-5-3-6-10-24;/h3-19,23,31H,20-21H2,1-2H3;1H4
InChIKeySNNPZBZKNFNTHC-UHFFFAOYSA-N
MW467.61 g/mol
LogP7.47
Rot. Bonds10

About methane;1-(2-methyl-4-phenylmethoxyphenyl)-2-(4-phenylmethoxyanilino)propan-1-one

methane;1-(2-methyl-4-phenylmethoxyphenyl)-2-(4-phenylmethoxyanilino)propan-1-one (PubChem CID 143735072) has the molecular formula C31H33NO3 and a molecular weight of 467.61 g/mol. Its IUPAC name is methane;1-(2-methyl-4-phenylmethoxyphenyl)-2-(4-phenylmethoxyanilino)propan-1-one.

Molecular Properties

Compound Namemethane;1-(2-methyl-4-phenylmethoxyphenyl)-2-(4-phenylmethoxyanilino)propan-1-one
PubChem CID143735072
Molecular FormulaC31H33NO3
Molecular Weight467.61 g/mol
Exact Mass467.25
IUPAC Namemethane;1-(2-methyl-4-phenylmethoxyphenyl)-2-(4-phenylmethoxyanilino)propan-1-one
SMILESC.Cc1cc(OCc2ccccc2)ccc1C(=O)C(C)Nc1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C30H29NO3.CH4/c1-22-19-28(34-21-25-11-7-4-8-12-25)17-18-29(22)30(32)23(2)31-26-13-15-27(16-14-26)33-20-24-9-5-3-6-10-24;/h3-19,23,31H,20-21H2,1-2H3;1H4
InChIKeySNNPZBZKNFNTHC-UHFFFAOYSA-N
XLogP7.47
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500467.61
LogP ≤ 57.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

2-(4-phenylmethoxyanilino)propanoic acid
CID 22078170
methyl 2-methyl-4-phenylmethoxybenzoate
CID 21194710
3-methyl-1-(2-methyl-4-phenylmethoxyphenyl)butan-1-one
CID 146005137
methyl 2-methyl-4-phenylmethoxybenzoate;2-methyl-4-phenylmethoxybenzoic acid
CID 159295589
2,4,5-trimethyl-N-(4-phenylmethoxyphenyl)benzamide
CID 100708399
(2R)-N-(2-methoxyphenyl)-2-(4-phenylmethoxyanilino)propanamide
CID 7830477
cyclopropyl-(2-methyl-4-phenylmethoxyphenyl)methanone
CID 82553608
2-(3,4-dimethylphenoxy)-N-(4-phenylmethoxyphenyl)acetamide
CID 4947508
N-[4-(dimethylamino)phenyl]-2-(4-phenylmethoxyanilino)propanamide
CID 154774074
(2S)-N-(cyclopropylcarbamoyl)-2-(4-phenylmethoxyanilino)propanamide
CID 25329518
2-(3,4-dimethylphenoxy)-N-(4-phenylmethoxyphenyl)butanamide
CID 46771146
4-(3-methyl-4-propan-2-ylphenoxy)-N-(4-phenylmethoxyphenyl)butanamide
CID 2072259

Frequently Asked Questions

What is the IUPAC name of methane;1-(2-methyl-4-phenylmethoxyphenyl)-2-(4-phenylmethoxyanilino)propan-1-one?
The IUPAC name of methane;1-(2-methyl-4-phenylmethoxyphenyl)-2-(4-phenylmethoxyanilino)propan-1-one (CID 143735072) is methane;1-(2-methyl-4-phenylmethoxyphenyl)-2-(4-phenylmethoxyanilino)propan-1-one.
What is the SMILES notation for methane;1-(2-methyl-4-phenylmethoxyphenyl)-2-(4-phenylmethoxyanilino)propan-1-one?
The canonical SMILES for methane;1-(2-methyl-4-phenylmethoxyphenyl)-2-(4-phenylmethoxyanilino)propan-1-one is C.Cc1cc(OCc2ccccc2)ccc1C(=O)C(C)Nc1ccc(OCc2ccccc2)cc1.
What is the InChIKey of methane;1-(2-methyl-4-phenylmethoxyphenyl)-2-(4-phenylmethoxyanilino)propan-1-one?
The InChIKey is SNNPZBZKNFNTHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H29NO3.CH4/c1-22-19-28(34-21-25-11-7-4-8-12-25)17-18-29(22)30(32)23(2)31-26-13-15-27(16-14-26)33-20-24-9-5-3-6-10-24;/h3-19,23,31H,20-21H2,1-2H3;1H4.
What are the key properties of methane;1-(2-methyl-4-phenylmethoxyphenyl)-2-(4-phenylmethoxyanilino)propan-1-one?
methane;1-(2-methyl-4-phenylmethoxyphenyl)-2-(4-phenylmethoxyanilino)propan-1-one has a molecular weight of 467.61 g/mol, XLogP of 7.47, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methane;1-(2-methyl-4-phenylmethoxyphenyl)-2-(4-phenylmethoxyanilino)propan-1-one is sourced from PubChem (CID 143735072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).