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

C18H16N2O4 — CID 56671850

IUPACN-[(1Z,3Z)-3-formamido-1,4-bis(4-hydroxyphenyl)buta-1,3-dien-2-yl]formamide
SMILESO=CNC(=C\c1ccc(O)cc1)/C(=C/c1ccc(O)cc1)NC=O
InChIInChI=1S/C18H16N2O4/c21-11-19-17(9-13-1-5-15(23)6-2-13)18(20-12-22)10-14-3-7-16(24)8-4-14/h1-12,23-24H,(H,19,21)(H,20,22)/b17-9-,18-10-
InChIKeyZNRFBLWRWQGBQX-XFQWXJFMSA-N
MW324.34 g/mol
LogP1.97
Rot. Bonds7

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

N-[(1Z,3Z)-3-formamido-1,4-bis(4-hydroxyphenyl)buta-1,3-dien-2-yl]formamide (PubChem CID 56671850) has the molecular formula C18H16N2O4 and a molecular weight of 324.34 g/mol. Its IUPAC name is N-[(1Z,3Z)-3-formamido-1,4-bis(4-hydroxyphenyl)buta-1,3-dien-2-yl]formamide.

Molecular Properties

Compound NameN-[(1Z,3Z)-3-formamido-1,4-bis(4-hydroxyphenyl)buta-1,3-dien-2-yl]formamide
PubChem CID56671850
Molecular FormulaC18H16N2O4
Molecular Weight324.34 g/mol
Exact Mass324.11
IUPAC NameN-[(1Z,3Z)-3-formamido-1,4-bis(4-hydroxyphenyl)buta-1,3-dien-2-yl]formamide
SMILESO=CNC(=C\c1ccc(O)cc1)/C(=C/c1ccc(O)cc1)NC=O
InChIInChI=1S/C18H16N2O4/c21-11-19-17(9-13-1-5-15(23)6-2-13)18(20-12-22)10-14-3-7-16(24)8-4-14/h1-12,23-24H,(H,19,21)(H,20,22)/b17-9-,18-10-
InChIKeyZNRFBLWRWQGBQX-XFQWXJFMSA-N
XLogP1.97
TPSA98.66 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.34
LogP ≤ 51.97
H-Bond Donors ≤ 54
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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Frequently Asked Questions

What is the IUPAC name of N-[(1Z,3Z)-3-formamido-1,4-bis(4-hydroxyphenyl)buta-1,3-dien-2-yl]formamide?
The IUPAC name of N-[(1Z,3Z)-3-formamido-1,4-bis(4-hydroxyphenyl)buta-1,3-dien-2-yl]formamide (CID 56671850) is N-[(1Z,3Z)-3-formamido-1,4-bis(4-hydroxyphenyl)buta-1,3-dien-2-yl]formamide.
What is the SMILES notation for N-[(1Z,3Z)-3-formamido-1,4-bis(4-hydroxyphenyl)buta-1,3-dien-2-yl]formamide?
The canonical SMILES for N-[(1Z,3Z)-3-formamido-1,4-bis(4-hydroxyphenyl)buta-1,3-dien-2-yl]formamide is O=CNC(=C\c1ccc(O)cc1)/C(=C/c1ccc(O)cc1)NC=O.
What is the InChIKey of N-[(1Z,3Z)-3-formamido-1,4-bis(4-hydroxyphenyl)buta-1,3-dien-2-yl]formamide?
The InChIKey is ZNRFBLWRWQGBQX-XFQWXJFMSA-N. The full InChI is InChI=1S/C18H16N2O4/c21-11-19-17(9-13-1-5-15(23)6-2-13)18(20-12-22)10-14-3-7-16(24)8-4-14/h1-12,23-24H,(H,19,21)(H,20,22)/b17-9-,18-10-.
What are the key properties of N-[(1Z,3Z)-3-formamido-1,4-bis(4-hydroxyphenyl)buta-1,3-dien-2-yl]formamide?
N-[(1Z,3Z)-3-formamido-1,4-bis(4-hydroxyphenyl)buta-1,3-dien-2-yl]formamide has a molecular weight of 324.34 g/mol, XLogP of 1.97, 7 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1Z,3Z)-3-formamido-1,4-bis(4-hydroxyphenyl)buta-1,3-dien-2-yl]formamide is sourced from PubChem (CID 56671850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).