N-[3-formamido-1,4-bis(4-methoxyphenyl)buta-1,3-dien-2-yl]formamide

C20H20N2O4 — CID 72970930

IUPACN-[3-formamido-1,4-bis(4-methoxyphenyl)buta-1,3-dien-2-yl]formamide
SMILESCOc1ccc(C=C(NC=O)C(=Cc2ccc(OC)cc2)NC=O)cc1
InChIInChI=1S/C20H20N2O4/c1-25-17-7-3-15(4-8-17)11-19(21-13-23)20(22-14-24)12-16-5-9-18(26-2)10-6-16/h3-14H,1-2H3,(H,21,23)(H,22,24)
InChIKeyZRAIRHSUKMHHQT-UHFFFAOYSA-N
MW352.39 g/mol
LogP2.58
Rot. Bonds9

About N-[3-formamido-1,4-bis(4-methoxyphenyl)buta-1,3-dien-2-yl]formamide

N-[3-formamido-1,4-bis(4-methoxyphenyl)buta-1,3-dien-2-yl]formamide (PubChem CID 72970930) has the molecular formula C20H20N2O4 and a molecular weight of 352.39 g/mol. Its IUPAC name is N-[3-formamido-1,4-bis(4-methoxyphenyl)buta-1,3-dien-2-yl]formamide.

Molecular Properties

Compound NameN-[3-formamido-1,4-bis(4-methoxyphenyl)buta-1,3-dien-2-yl]formamide
PubChem CID72970930
Molecular FormulaC20H20N2O4
Molecular Weight352.39 g/mol
Exact Mass352.14
IUPAC NameN-[3-formamido-1,4-bis(4-methoxyphenyl)buta-1,3-dien-2-yl]formamide
SMILESCOc1ccc(C=C(NC=O)C(=Cc2ccc(OC)cc2)NC=O)cc1
InChIInChI=1S/C20H20N2O4/c1-25-17-7-3-15(4-8-17)11-19(21-13-23)20(22-14-24)12-16-5-9-18(26-2)10-6-16/h3-14H,1-2H3,(H,21,23)(H,22,24)
InChIKeyZRAIRHSUKMHHQT-UHFFFAOYSA-N
XLogP2.58
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.39
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[[1,4-bis(4-methoxyphenyl)-3-(2-oxoethylamino)buta-1,3-dien-2-yl]amino]acetaldehyde
CID 162820863
(2E,3E)-2,3-bis[(4-methoxyphenyl)methylidene]butanedial
CID 12694230
N-formyl-4-methoxybenzamide
CID 10856056
(Z)-2-fluoro-3-(4-methoxyphenyl)prop-2-enal
CID 10965119
4-methoxy(1,2,3,4,5,6-13C6)cyclohexa-1,3,5-triene-1-carbaldehyde
CID 46780459
N-[1-(4-methoxyphenyl)ethenyl]formamide
CID 14117206
1-(2,2-dibromoethenyl)-4-methoxybenzene
CID 10859278
(E)-2-hydroxy-3-(4-methoxyphenyl)prop-2-enoic acid
CID 11019723
2-methoxy-3-(4-methoxyphenyl)prop-2-enamide
CID 165349278
1-[(E)-2-fluoroprop-1-enyl]-4-methoxybenzene
CID 125475931
[4-(2-formamido-2-methoxyethenyl)phenyl] acetate
CID 173455409
1-(3-bromo-2-methylprop-1-enyl)-4-methoxybenzene
CID 79323342

Frequently Asked Questions

What is the IUPAC name of N-[3-formamido-1,4-bis(4-methoxyphenyl)buta-1,3-dien-2-yl]formamide?
The IUPAC name of N-[3-formamido-1,4-bis(4-methoxyphenyl)buta-1,3-dien-2-yl]formamide (CID 72970930) is N-[3-formamido-1,4-bis(4-methoxyphenyl)buta-1,3-dien-2-yl]formamide.
What is the SMILES notation for N-[3-formamido-1,4-bis(4-methoxyphenyl)buta-1,3-dien-2-yl]formamide?
The canonical SMILES for N-[3-formamido-1,4-bis(4-methoxyphenyl)buta-1,3-dien-2-yl]formamide is COc1ccc(C=C(NC=O)C(=Cc2ccc(OC)cc2)NC=O)cc1.
What is the InChIKey of N-[3-formamido-1,4-bis(4-methoxyphenyl)buta-1,3-dien-2-yl]formamide?
The InChIKey is ZRAIRHSUKMHHQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O4/c1-25-17-7-3-15(4-8-17)11-19(21-13-23)20(22-14-24)12-16-5-9-18(26-2)10-6-16/h3-14H,1-2H3,(H,21,23)(H,22,24).
What are the key properties of N-[3-formamido-1,4-bis(4-methoxyphenyl)buta-1,3-dien-2-yl]formamide?
N-[3-formamido-1,4-bis(4-methoxyphenyl)buta-1,3-dien-2-yl]formamide has a molecular weight of 352.39 g/mol, XLogP of 2.58, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-formamido-1,4-bis(4-methoxyphenyl)buta-1,3-dien-2-yl]formamide is sourced from PubChem (CID 72970930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).