N-[4-[(Z)-1-(4-methoxyphenyl)-2-(4-phenylmethoxyphenyl)but-1-enyl]phenyl]-2-methylpropanamide

C34H35NO3 — CID 127052975

IUPACN-[4-[(Z)-1-(4-methoxyphenyl)-2-(4-phenylmethoxyphenyl)but-1-enyl]phenyl]-2-methylpropanamide
SMILESCC/C(=C(\c1ccc(NC(=O)C(C)C)cc1)c1ccc(OC)cc1)c1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C34H35NO3/c1-5-32(26-13-21-31(22-14-26)38-23-25-9-7-6-8-10-25)33(28-15-19-30(37-4)20-16-28)27-11-17-29(18-12-27)35-34(36)24(2)3/h6-22,24H,5,23H2,1-4H3,(H,35,36)/b33-32-
InChIKeyQAXMPPZWWLEJKJ-KARKAFJISA-N
MW505.66 g/mol
LogP8.24
Rot. Bonds10

About N-[4-[(Z)-1-(4-methoxyphenyl)-2-(4-phenylmethoxyphenyl)but-1-enyl]phenyl]-2-methylpropanamide

N-[4-[(Z)-1-(4-methoxyphenyl)-2-(4-phenylmethoxyphenyl)but-1-enyl]phenyl]-2-methylpropanamide (PubChem CID 127052975) has the molecular formula C34H35NO3 and a molecular weight of 505.66 g/mol. Its IUPAC name is N-[4-[(Z)-1-(4-methoxyphenyl)-2-(4-phenylmethoxyphenyl)but-1-enyl]phenyl]-2-methylpropanamide.

Molecular Properties

Compound NameN-[4-[(Z)-1-(4-methoxyphenyl)-2-(4-phenylmethoxyphenyl)but-1-enyl]phenyl]-2-methylpropanamide
PubChem CID127052975
Molecular FormulaC34H35NO3
Molecular Weight505.66 g/mol
Exact Mass505.26
IUPAC NameN-[4-[(Z)-1-(4-methoxyphenyl)-2-(4-phenylmethoxyphenyl)but-1-enyl]phenyl]-2-methylpropanamide
SMILESCC/C(=C(\c1ccc(NC(=O)C(C)C)cc1)c1ccc(OC)cc1)c1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C34H35NO3/c1-5-32(26-13-21-31(22-14-26)38-23-25-9-7-6-8-10-25)33(28-15-19-30(37-4)20-16-28)27-11-17-29(18-12-27)35-34(36)24(2)3/h6-22,24H,5,23H2,1-4H3,(H,35,36)/b33-32-
InChIKeyQAXMPPZWWLEJKJ-KARKAFJISA-N
XLogP8.24
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500505.66
LogP ≤ 58.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[4-[(Z)-1-(4-methoxyphenyl)-2-(4-phenylmethoxyphenyl)but-1-enyl]phenyl]-2-methylpropanamide?
The IUPAC name of N-[4-[(Z)-1-(4-methoxyphenyl)-2-(4-phenylmethoxyphenyl)but-1-enyl]phenyl]-2-methylpropanamide (CID 127052975) is N-[4-[(Z)-1-(4-methoxyphenyl)-2-(4-phenylmethoxyphenyl)but-1-enyl]phenyl]-2-methylpropanamide.
What is the SMILES notation for N-[4-[(Z)-1-(4-methoxyphenyl)-2-(4-phenylmethoxyphenyl)but-1-enyl]phenyl]-2-methylpropanamide?
The canonical SMILES for N-[4-[(Z)-1-(4-methoxyphenyl)-2-(4-phenylmethoxyphenyl)but-1-enyl]phenyl]-2-methylpropanamide is CC/C(=C(\c1ccc(NC(=O)C(C)C)cc1)c1ccc(OC)cc1)c1ccc(OCc2ccccc2)cc1.
What is the InChIKey of N-[4-[(Z)-1-(4-methoxyphenyl)-2-(4-phenylmethoxyphenyl)but-1-enyl]phenyl]-2-methylpropanamide?
The InChIKey is QAXMPPZWWLEJKJ-KARKAFJISA-N. The full InChI is InChI=1S/C34H35NO3/c1-5-32(26-13-21-31(22-14-26)38-23-25-9-7-6-8-10-25)33(28-15-19-30(37-4)20-16-28)27-11-17-29(18-12-27)35-34(36)24(2)3/h6-22,24H,5,23H2,1-4H3,(H,35,36)/b33-32-.
What are the key properties of N-[4-[(Z)-1-(4-methoxyphenyl)-2-(4-phenylmethoxyphenyl)but-1-enyl]phenyl]-2-methylpropanamide?
N-[4-[(Z)-1-(4-methoxyphenyl)-2-(4-phenylmethoxyphenyl)but-1-enyl]phenyl]-2-methylpropanamide has a molecular weight of 505.66 g/mol, XLogP of 8.24, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(Z)-1-(4-methoxyphenyl)-2-(4-phenylmethoxyphenyl)but-1-enyl]phenyl]-2-methylpropanamide is sourced from PubChem (CID 127052975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).