4-chloro-N-[[2,4-dimethoxy-6-[2-(4-methoxyphenyl)ethenyl]phenyl]methyl]-N-phenylbutanamide

C28H30ClNO4 — CID 175294279

IUPAC4-chloro-N-[[2,4-dimethoxy-6-[2-(4-methoxyphenyl)ethenyl]phenyl]methyl]-N-phenylbutanamide
SMILESCOc1ccc(C=Cc2cc(OC)cc(OC)c2CN(C(=O)CCCCl)c2ccccc2)cc1
InChIInChI=1S/C28H30ClNO4/c1-32-24-15-12-21(13-16-24)11-14-22-18-25(33-2)19-27(34-3)26(22)20-30(28(31)10-7-17-29)23-8-5-4-6-9-23/h4-6,8-9,11-16,18-19H,7,10,17,20H2,1-3H3
InChIKeyYFJHMHPIEXBFRG-UHFFFAOYSA-N
MW480.00 g/mol
LogP6.43
Rot. Bonds11

About 4-chloro-N-[[2,4-dimethoxy-6-[2-(4-methoxyphenyl)ethenyl]phenyl]methyl]-N-phenylbutanamide

4-chloro-N-[[2,4-dimethoxy-6-[2-(4-methoxyphenyl)ethenyl]phenyl]methyl]-N-phenylbutanamide (PubChem CID 175294279) has the molecular formula C28H30ClNO4 and a molecular weight of 480.00 g/mol. Its IUPAC name is 4-chloro-N-[[2,4-dimethoxy-6-[2-(4-methoxyphenyl)ethenyl]phenyl]methyl]-N-phenylbutanamide.

Molecular Properties

Compound Name4-chloro-N-[[2,4-dimethoxy-6-[2-(4-methoxyphenyl)ethenyl]phenyl]methyl]-N-phenylbutanamide
PubChem CID175294279
Molecular FormulaC28H30ClNO4
Molecular Weight480.00 g/mol
Exact Mass479.19
IUPAC Name4-chloro-N-[[2,4-dimethoxy-6-[2-(4-methoxyphenyl)ethenyl]phenyl]methyl]-N-phenylbutanamide
SMILESCOc1ccc(C=Cc2cc(OC)cc(OC)c2CN(C(=O)CCCCl)c2ccccc2)cc1
InChIInChI=1S/C28H30ClNO4/c1-32-24-15-12-21(13-16-24)11-14-22-18-25(33-2)19-27(34-3)26(22)20-30(28(31)10-7-17-29)23-8-5-4-6-9-23/h4-6,8-9,11-16,18-19H,7,10,17,20H2,1-3H3
InChIKeyYFJHMHPIEXBFRG-UHFFFAOYSA-N
XLogP6.43
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500480.00
LogP ≤ 56.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-N-[[2,4-dimethoxy-6-[2-(4-methoxyphenyl)ethenyl]phenyl]methyl]-N-phenylacetamide
CID 175294249
4-[[2,4-dimethoxy-6-[2-(4-methoxyphenyl)ethenyl]phenyl]methoxy]-4-oxobutanoic acid
CID 175058461
4-iodo-N-[[2-[2-(4-methoxyphenyl)ethenyl]-4,6-dimethylphenyl]methyl]-N-phenylbenzamide
CID 175294252
1-[(E)-2-(4-chlorophenyl)ethenyl]-3,5-dimethoxy-2-[(4-methoxyphenyl)methyl]benzene
CID 175647412
3-[2,4-dimethoxy-6-[(E)-2-(4-methoxyphenyl)ethenyl]phenyl]-N-ethylprop-2-enamide
CID 174654961
(E)-N-butyl-3-[2,4-dimethoxy-6-[(E)-2-(4-methoxyphenyl)ethenyl]phenyl]prop-2-enamide
CID 71495784
(E)-3-[2,4-dimethoxy-6-[(E)-2-(4-methoxyphenyl)ethenyl]phenyl]-1-(4-ethoxyphenyl)prop-2-en-1-one
CID 54583562
N-ethyl-5-(4-methoxyphenyl)-5-oxo-N-phenylpentanamide
CID 110298239
N-benzyl-N-(4-methoxyphenyl)hexanamide
CID 60594646
(E)-3-[2,4-dimethoxy-6-[(E)-2-(4-methoxyphenyl)ethenyl]phenyl]-1-(2-methylphenyl)prop-2-en-1-one
CID 54583718
3,4,5-trimethoxy-N-(4-methoxyphenyl)-N-[(E)-3-phenylprop-2-enyl]benzamide
CID 42696233
(1E,4E)-1-[2,4-dimethoxy-6-[(E)-2-(4-methoxyphenyl)ethenyl]phenyl]-5-(2-fluorophenyl)penta-1,4-dien-3-one
CID 57402868

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[[2,4-dimethoxy-6-[2-(4-methoxyphenyl)ethenyl]phenyl]methyl]-N-phenylbutanamide?
The IUPAC name of 4-chloro-N-[[2,4-dimethoxy-6-[2-(4-methoxyphenyl)ethenyl]phenyl]methyl]-N-phenylbutanamide (CID 175294279) is 4-chloro-N-[[2,4-dimethoxy-6-[2-(4-methoxyphenyl)ethenyl]phenyl]methyl]-N-phenylbutanamide.
What is the SMILES notation for 4-chloro-N-[[2,4-dimethoxy-6-[2-(4-methoxyphenyl)ethenyl]phenyl]methyl]-N-phenylbutanamide?
The canonical SMILES for 4-chloro-N-[[2,4-dimethoxy-6-[2-(4-methoxyphenyl)ethenyl]phenyl]methyl]-N-phenylbutanamide is COc1ccc(C=Cc2cc(OC)cc(OC)c2CN(C(=O)CCCCl)c2ccccc2)cc1.
What is the InChIKey of 4-chloro-N-[[2,4-dimethoxy-6-[2-(4-methoxyphenyl)ethenyl]phenyl]methyl]-N-phenylbutanamide?
The InChIKey is YFJHMHPIEXBFRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H30ClNO4/c1-32-24-15-12-21(13-16-24)11-14-22-18-25(33-2)19-27(34-3)26(22)20-30(28(31)10-7-17-29)23-8-5-4-6-9-23/h4-6,8-9,11-16,18-19H,7,10,17,20H2,1-3H3.
What are the key properties of 4-chloro-N-[[2,4-dimethoxy-6-[2-(4-methoxyphenyl)ethenyl]phenyl]methyl]-N-phenylbutanamide?
4-chloro-N-[[2,4-dimethoxy-6-[2-(4-methoxyphenyl)ethenyl]phenyl]methyl]-N-phenylbutanamide has a molecular weight of 480.00 g/mol, XLogP of 6.43, 11 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[[2,4-dimethoxy-6-[2-(4-methoxyphenyl)ethenyl]phenyl]methyl]-N-phenylbutanamide is sourced from PubChem (CID 175294279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).