ethane;N-[2-[4-[(Z)-1-(4-hydroxyphenyl)-2-phenylbut-1-enyl]phenoxy]ethyl]-N-methylpropanamide

C30H37NO3 — CID 143870405

IUPACethane;N-[2-[4-[(Z)-1-(4-hydroxyphenyl)-2-phenylbut-1-enyl]phenoxy]ethyl]-N-methylpropanamide
SMILESCC.CCC(=O)N(C)CCOc1ccc(/C(=C(/CC)c2ccccc2)c2ccc(O)cc2)cc1
InChIInChI=1S/C28H31NO3.C2H6/c1-4-26(21-9-7-6-8-10-21)28(22-11-15-24(30)16-12-22)23-13-17-25(18-14-23)32-20-19-29(3)27(31)5-2;1-2/h6-18,30H,4-5,19-20H2,1-3H3;1-2H3/b28-26-;
InChIKeyMWYGEOIMAASKLJ-QVLVYXDLSA-N
MW459.63 g/mol
LogP7.03
Rot. Bonds9

About ethane;N-[2-[4-[(Z)-1-(4-hydroxyphenyl)-2-phenylbut-1-enyl]phenoxy]ethyl]-N-methylpropanamide

ethane;N-[2-[4-[(Z)-1-(4-hydroxyphenyl)-2-phenylbut-1-enyl]phenoxy]ethyl]-N-methylpropanamide (PubChem CID 143870405) has the molecular formula C30H37NO3 and a molecular weight of 459.63 g/mol. Its IUPAC name is ethane;N-[2-[4-[(Z)-1-(4-hydroxyphenyl)-2-phenylbut-1-enyl]phenoxy]ethyl]-N-methylpropanamide.

Molecular Properties

Compound Nameethane;N-[2-[4-[(Z)-1-(4-hydroxyphenyl)-2-phenylbut-1-enyl]phenoxy]ethyl]-N-methylpropanamide
PubChem CID143870405
Molecular FormulaC30H37NO3
Molecular Weight459.63 g/mol
Exact Mass459.28
IUPAC Nameethane;N-[2-[4-[(Z)-1-(4-hydroxyphenyl)-2-phenylbut-1-enyl]phenoxy]ethyl]-N-methylpropanamide
SMILESCC.CCC(=O)N(C)CCOc1ccc(/C(=C(/CC)c2ccccc2)c2ccc(O)cc2)cc1
InChIInChI=1S/C28H31NO3.C2H6/c1-4-26(21-9-7-6-8-10-21)28(22-11-15-24(30)16-12-22)23-13-17-25(18-14-23)32-20-19-29(3)27(31)5-2;1-2/h6-18,30H,4-5,19-20H2,1-3H3;1-2H3/b28-26-;
InChIKeyMWYGEOIMAASKLJ-QVLVYXDLSA-N
XLogP7.03
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500459.63
LogP ≤ 57.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'stilbene', 'substructure': 'N/A'}

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Related Compounds

N-[2-[4-(1,2-diphenylbut-1-enyl)phenoxy]ethyl]-N-methylpropanamide
CID 166643688
2-(2-hydroxyethoxy)-N-[2-[4-[(Z)-1-(4-hydroxyphenyl)-2-phenylbut-1-enyl]phenoxy]ethyl]-N-methylacetamide
CID 167110073
butyl N-[2-[4-[(Z)-1-(4-hydroxyphenyl)-2-phenylbut-1-enyl]phenoxy]ethyl]-N-methylcarbamate
CID 143870398
N-amino-N-[2-[4-[(Z)-1-(4-hydroxyphenyl)-2-phenylbut-1-enyl]phenoxy]ethyl]carbamoyl iodide
CID 167109919
4-[1-[4-[2-[2-aminooxyethyl(methyl)amino]ethoxy]phenyl]-2-phenylbut-1-enyl]phenol
CID 90864910
4-[(Z)-1-[4-[6-(dimethylamino)hexoxy]phenyl]-2-phenylbut-1-enyl]phenol
CID 70452870
3-[2-[2-[2-[2-[3-[2-[4-[(Z)-1,2-diphenylbut-1-enyl]phenoxy]ethyl-methylamino]-3-oxopropoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanamide
CID 134174442
4-[(Z)-1-[4-[2-(dimethylamino)ethoxy]phenyl]-2-(4-phenylmethoxyphenyl)but-1-enyl]phenol
CID 70684715
bis(3-[1-[4-[2-(dimethylamino)ethoxy]phenyl]-2-phenylbut-1-enyl]phenol);hydrochloride
CID 174812460
4-[(Z)-1-[4-(2-chloroethoxy)phenyl]-2-phenylbut-1-enyl]phenol
CID 6372844
N-[2-[4-[(Z)-1,2-diphenylbut-1-enyl]phenoxy]ethyl]-N-methylformamide
CID 57485486
benzyl N-[2-[4-[(E)-1-[4-[hydroxy(phenylmethoxy)phosphoryl]oxyphenyl]-2-phenylbut-1-enyl]phenoxy]ethyl]-N-methylcarbamate;benzyl N-[2-[4-[(Z)-1-(4-hydroxyphenyl)-2-phenylbut-1-enyl]phenoxy]ethyl]-N-methylcarbamate
CID 157226231

Frequently Asked Questions

What is the IUPAC name of ethane;N-[2-[4-[(Z)-1-(4-hydroxyphenyl)-2-phenylbut-1-enyl]phenoxy]ethyl]-N-methylpropanamide?
The IUPAC name of ethane;N-[2-[4-[(Z)-1-(4-hydroxyphenyl)-2-phenylbut-1-enyl]phenoxy]ethyl]-N-methylpropanamide (CID 143870405) is ethane;N-[2-[4-[(Z)-1-(4-hydroxyphenyl)-2-phenylbut-1-enyl]phenoxy]ethyl]-N-methylpropanamide.
What is the SMILES notation for ethane;N-[2-[4-[(Z)-1-(4-hydroxyphenyl)-2-phenylbut-1-enyl]phenoxy]ethyl]-N-methylpropanamide?
The canonical SMILES for ethane;N-[2-[4-[(Z)-1-(4-hydroxyphenyl)-2-phenylbut-1-enyl]phenoxy]ethyl]-N-methylpropanamide is CC.CCC(=O)N(C)CCOc1ccc(/C(=C(/CC)c2ccccc2)c2ccc(O)cc2)cc1.
What is the InChIKey of ethane;N-[2-[4-[(Z)-1-(4-hydroxyphenyl)-2-phenylbut-1-enyl]phenoxy]ethyl]-N-methylpropanamide?
The InChIKey is MWYGEOIMAASKLJ-QVLVYXDLSA-N. The full InChI is InChI=1S/C28H31NO3.C2H6/c1-4-26(21-9-7-6-8-10-21)28(22-11-15-24(30)16-12-22)23-13-17-25(18-14-23)32-20-19-29(3)27(31)5-2;1-2/h6-18,30H,4-5,19-20H2,1-3H3;1-2H3/b28-26-;.
What are the key properties of ethane;N-[2-[4-[(Z)-1-(4-hydroxyphenyl)-2-phenylbut-1-enyl]phenoxy]ethyl]-N-methylpropanamide?
ethane;N-[2-[4-[(Z)-1-(4-hydroxyphenyl)-2-phenylbut-1-enyl]phenoxy]ethyl]-N-methylpropanamide has a molecular weight of 459.63 g/mol, XLogP of 7.03, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-[2-[4-[(Z)-1-(4-hydroxyphenyl)-2-phenylbut-1-enyl]phenoxy]ethyl]-N-methylpropanamide is sourced from PubChem (CID 143870405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).