4,4-bis(3,5-dimethoxyphenyl)-N-(4-methoxyphenyl)but-3-enamide

C27H29NO6 — CID 15120581

IUPAC4,4-bis(3,5-dimethoxyphenyl)-N-(4-methoxyphenyl)but-3-enamide
SMILESCOc1ccc(NC(=O)CC=C(c2cc(OC)cc(OC)c2)c2cc(OC)cc(OC)c2)cc1
InChIInChI=1S/C27H29NO6/c1-30-21-8-6-20(7-9-21)28-27(29)11-10-26(18-12-22(31-2)16-23(13-18)32-3)19-14-24(33-4)17-25(15-19)34-5/h6-10,12-17H,11H2,1-5H3,(H,28,29)
InChIKeyDXQTZDOOJMWDJI-UHFFFAOYSA-N
MW463.53 g/mol
LogP5.19
Rot. Bonds10

About 4,4-bis(3,5-dimethoxyphenyl)-N-(4-methoxyphenyl)but-3-enamide

4,4-bis(3,5-dimethoxyphenyl)-N-(4-methoxyphenyl)but-3-enamide (PubChem CID 15120581) has the molecular formula C27H29NO6 and a molecular weight of 463.53 g/mol. Its IUPAC name is 4,4-bis(3,5-dimethoxyphenyl)-N-(4-methoxyphenyl)but-3-enamide.

Molecular Properties

Compound Name4,4-bis(3,5-dimethoxyphenyl)-N-(4-methoxyphenyl)but-3-enamide
PubChem CID15120581
Molecular FormulaC27H29NO6
Molecular Weight463.53 g/mol
Exact Mass463.20
IUPAC Name4,4-bis(3,5-dimethoxyphenyl)-N-(4-methoxyphenyl)but-3-enamide
SMILESCOc1ccc(NC(=O)CC=C(c2cc(OC)cc(OC)c2)c2cc(OC)cc(OC)c2)cc1
InChIInChI=1S/C27H29NO6/c1-30-21-8-6-20(7-9-21)28-27(29)11-10-26(18-12-22(31-2)16-23(13-18)32-3)19-14-24(33-4)17-25(15-19)34-5/h6-10,12-17H,11H2,1-5H3,(H,28,29)
InChIKeyDXQTZDOOJMWDJI-UHFFFAOYSA-N
XLogP5.19
TPSA75.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500463.53
LogP ≤ 55.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(3,5-dimethoxyphenoxy)-N-(4-methoxyphenyl)acetamide
CID 7707204
N,N'-bis(4-methoxyphenyl)dodecanediamide
CID 5187461
N,3-bis(4-methoxyphenyl)-3-oxopropanamide
CID 23763529
2-chloro-N-[4-(4-methoxyanilino)phenyl]acetamide
CID 13013378
2-[3-[2-(4-methoxyanilino)-2-oxoethoxy]phenoxy]-N-(4-methoxyphenyl)acetamide
CID 71417144
11-bromo-N-(4-methoxyphenyl)undecanamide
CID 51058288
N'-(4-methoxyphenyl)-N-phenylpropanediamide
CID 15154641
6-(4-methoxyanilino)-6-oxohexanoic acid
CID 19422065
N-[4-(3,5-dimethoxyphenoxy)phenyl]-2-(methylamino)acetamide
CID 154939563
N-[3-(4-fluoroanilino)-3-oxopropyl]-3,5-dimethoxybenzamide
CID 17191634
[2-(4-methoxyanilino)-2-oxoethyl]carbamic acid
CID 67025275
N-(3-anilino-3-oxopropyl)-3,5-dimethoxybenzamide
CID 17191598

Frequently Asked Questions

What is the IUPAC name of 4,4-bis(3,5-dimethoxyphenyl)-N-(4-methoxyphenyl)but-3-enamide?
The IUPAC name of 4,4-bis(3,5-dimethoxyphenyl)-N-(4-methoxyphenyl)but-3-enamide (CID 15120581) is 4,4-bis(3,5-dimethoxyphenyl)-N-(4-methoxyphenyl)but-3-enamide.
What is the SMILES notation for 4,4-bis(3,5-dimethoxyphenyl)-N-(4-methoxyphenyl)but-3-enamide?
The canonical SMILES for 4,4-bis(3,5-dimethoxyphenyl)-N-(4-methoxyphenyl)but-3-enamide is COc1ccc(NC(=O)CC=C(c2cc(OC)cc(OC)c2)c2cc(OC)cc(OC)c2)cc1.
What is the InChIKey of 4,4-bis(3,5-dimethoxyphenyl)-N-(4-methoxyphenyl)but-3-enamide?
The InChIKey is DXQTZDOOJMWDJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H29NO6/c1-30-21-8-6-20(7-9-21)28-27(29)11-10-26(18-12-22(31-2)16-23(13-18)32-3)19-14-24(33-4)17-25(15-19)34-5/h6-10,12-17H,11H2,1-5H3,(H,28,29).
What are the key properties of 4,4-bis(3,5-dimethoxyphenyl)-N-(4-methoxyphenyl)but-3-enamide?
4,4-bis(3,5-dimethoxyphenyl)-N-(4-methoxyphenyl)but-3-enamide has a molecular weight of 463.53 g/mol, XLogP of 5.19, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-bis(3,5-dimethoxyphenyl)-N-(4-methoxyphenyl)but-3-enamide is sourced from PubChem (CID 15120581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).