1,1-diphenylethylbenzene;2-phenylmethoxyprop-2-enamide

C30H29NO2 — CID 174883797

IUPAC1,1-diphenylethylbenzene;2-phenylmethoxyprop-2-enamide
SMILESC=C(OCc1ccccc1)C(N)=O.CC(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C20H18.C10H11NO2/c1-20(17-11-5-2-6-12-17,18-13-7-3-8-14-18)19-15-9-4-10-16-19;1-8(10(11)12)13-7-9-5-3-2-4-6-9/h2-16H,1H3;2-6H,1,7H2,(H2,11,12)
InChIKeyQQWZGXBIMBHAAY-UHFFFAOYSA-N
MW435.57 g/mol
LogP6.24
Rot. Bonds7

About 1,1-diphenylethylbenzene;2-phenylmethoxyprop-2-enamide

1,1-diphenylethylbenzene;2-phenylmethoxyprop-2-enamide (PubChem CID 174883797) has the molecular formula C30H29NO2 and a molecular weight of 435.57 g/mol. Its IUPAC name is 1,1-diphenylethylbenzene;2-phenylmethoxyprop-2-enamide.

Molecular Properties

Compound Name1,1-diphenylethylbenzene;2-phenylmethoxyprop-2-enamide
PubChem CID174883797
Molecular FormulaC30H29NO2
Molecular Weight435.57 g/mol
Exact Mass435.22
IUPAC Name1,1-diphenylethylbenzene;2-phenylmethoxyprop-2-enamide
SMILESC=C(OCc1ccccc1)C(N)=O.CC(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C20H18.C10H11NO2/c1-20(17-11-5-2-6-12-17,18-13-7-3-8-14-18)19-15-9-4-10-16-19;1-8(10(11)12)13-7-9-5-3-2-4-6-9/h2-16H,1H3;2-6H,1,7H2,(H2,11,12)
InChIKeyQQWZGXBIMBHAAY-UHFFFAOYSA-N
XLogP6.24
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500435.57
LogP ≤ 56.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

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Related Compounds

2-phenylmethoxyprop-2-enoic acid
CID 14954752
benzyl 2-amino-2-phenylpropanoate
CID 54322564
1,1-diphenylethylbenzene;prop-2-enamide
CID 174910563
benzyl (2-hydroxy-2-phenylpropyl) carbonate
CID 139815152
(4-methoxyphenyl)methyl 2-hydroxy-2,2-diphenylacetate
CID 16577341
benzyl acetate;carbamic acid
CID 159542161
benzyl 2-amino-2-hydroxypropanoate
CID 67630480
benzyl 2-methylprop-2-enoate;hydrofluoride
CID 161313656
benzyl 2-tert-butyl-3,3-dimethylbutanoate
CID 130279218
[(3E)-2-phenylmethoxypenta-1,3-dien-3-yl]oxymethylbenzene
CID 134286025
benzyl 2-hydroxy-3,3-dimethylbutanoate
CID 15070303
benzyl carbamate;heptahydrochloride
CID 141351835

Frequently Asked Questions

What is the IUPAC name of 1,1-diphenylethylbenzene;2-phenylmethoxyprop-2-enamide?
The IUPAC name of 1,1-diphenylethylbenzene;2-phenylmethoxyprop-2-enamide (CID 174883797) is 1,1-diphenylethylbenzene;2-phenylmethoxyprop-2-enamide.
What is the SMILES notation for 1,1-diphenylethylbenzene;2-phenylmethoxyprop-2-enamide?
The canonical SMILES for 1,1-diphenylethylbenzene;2-phenylmethoxyprop-2-enamide is C=C(OCc1ccccc1)C(N)=O.CC(c1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of 1,1-diphenylethylbenzene;2-phenylmethoxyprop-2-enamide?
The InChIKey is QQWZGXBIMBHAAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18.C10H11NO2/c1-20(17-11-5-2-6-12-17,18-13-7-3-8-14-18)19-15-9-4-10-16-19;1-8(10(11)12)13-7-9-5-3-2-4-6-9/h2-16H,1H3;2-6H,1,7H2,(H2,11,12).
What are the key properties of 1,1-diphenylethylbenzene;2-phenylmethoxyprop-2-enamide?
1,1-diphenylethylbenzene;2-phenylmethoxyprop-2-enamide has a molecular weight of 435.57 g/mol, XLogP of 6.24, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-diphenylethylbenzene;2-phenylmethoxyprop-2-enamide is sourced from PubChem (CID 174883797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).