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

C19H18N2O4 — CID 53387667

IUPACN-[(1Z,3Z)-3-formamido-1-(4-hydroxyphenyl)-4-(4-methoxyphenyl)buta-1,3-dien-2-yl]formamide
SMILESCOc1ccc(/C=C(NC=O)/C(=C/c2ccc(O)cc2)NC=O)cc1
InChIInChI=1S/C19H18N2O4/c1-25-17-8-4-15(5-9-17)11-19(21-13-23)18(20-12-22)10-14-2-6-16(24)7-3-14/h2-13,24H,1H3,(H,20,22)(H,21,23)/b18-10-,19-11-
InChIKeyTYQOIZVNOQGSQC-BJPQZVBLSA-N
MW338.36 g/mol
LogP2.27
Rot. Bonds8

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

N-[(1Z,3Z)-3-formamido-1-(4-hydroxyphenyl)-4-(4-methoxyphenyl)buta-1,3-dien-2-yl]formamide (PubChem CID 53387667) has the molecular formula C19H18N2O4 and a molecular weight of 338.36 g/mol. Its IUPAC name is N-[(1Z,3Z)-3-formamido-1-(4-hydroxyphenyl)-4-(4-methoxyphenyl)buta-1,3-dien-2-yl]formamide.

Molecular Properties

Compound NameN-[(1Z,3Z)-3-formamido-1-(4-hydroxyphenyl)-4-(4-methoxyphenyl)buta-1,3-dien-2-yl]formamide
PubChem CID53387667
Molecular FormulaC19H18N2O4
Molecular Weight338.36 g/mol
Exact Mass338.13
IUPAC NameN-[(1Z,3Z)-3-formamido-1-(4-hydroxyphenyl)-4-(4-methoxyphenyl)buta-1,3-dien-2-yl]formamide
SMILESCOc1ccc(/C=C(NC=O)/C(=C/c2ccc(O)cc2)NC=O)cc1
InChIInChI=1S/C19H18N2O4/c1-25-17-8-4-15(5-9-17)11-19(21-13-23)18(20-12-22)10-14-2-6-16(24)7-3-14/h2-13,24H,1H3,(H,20,22)(H,21,23)/b18-10-,19-11-
InChIKeyTYQOIZVNOQGSQC-BJPQZVBLSA-N
XLogP2.27
TPSA87.66 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.36
LogP ≤ 52.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-[(1Z,3Z)-3-formamido-1-(4-hydroxyphenyl)-4-(4-methoxyphenyl)buta-1,3-dien-2-yl]formamide with MolForge

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Related Compounds

xanthocillin X monomethyl ether
CID 6441021
N,N'-((1Z,3Z)-1,4-Bis(4-Methoxyphenyl)Buta-1,3-Diene-2,3-Diyl)Diformamide
CID 11462296
Cordyformamide
CID 16216157
N,N'-((1Z,3Z)-1,4-bis(4-hydroxyphenyl)buta-1,3-diene-2,3-diyl)diformamide
CID 56671850
[4-[(1Z,3Z)-2,3-diformamido-4-(4-methoxyphenyl)buta-1,3-dienyl]phenyl] hydrogen sulfate
CID 53387666
(E)-3-(4-methoxyphenyl)-N-[2-[[(E)-3-(4-methoxyphenyl)prop-2-enoyl]amino]ethyl]prop-2-enamide
CID 2180793
N-[3-formamido-1,4-bis(4-methoxyphenyl)buta-1,3-dien-2-yl]formamide
CID 72970930
Fumiformamide
CID 76032017
N-[3-formamido-1-(4-hydroxyphenyl)-4-(4-methoxyphenyl)buta-1,3-dien-2-yl]formamide
CID 76032018
N-[1,4-bis(3,4-dihydroxyphenyl)-3-formamidobuta-1,3-dien-2-yl]formamide
CID 162957820
4-[(1E,3Z,5E,7E)-9-amino-3-(4-methoxyphenyl)-7-methylnona-1,3,5,7-tetraenyl]phenol
CID 121373935
Nocazine F
CID 132571699

Frequently Asked Questions

What is the IUPAC name of N-[(1Z,3Z)-3-formamido-1-(4-hydroxyphenyl)-4-(4-methoxyphenyl)buta-1,3-dien-2-yl]formamide?
The IUPAC name of N-[(1Z,3Z)-3-formamido-1-(4-hydroxyphenyl)-4-(4-methoxyphenyl)buta-1,3-dien-2-yl]formamide (CID 53387667) is N-[(1Z,3Z)-3-formamido-1-(4-hydroxyphenyl)-4-(4-methoxyphenyl)buta-1,3-dien-2-yl]formamide.
What is the SMILES notation for N-[(1Z,3Z)-3-formamido-1-(4-hydroxyphenyl)-4-(4-methoxyphenyl)buta-1,3-dien-2-yl]formamide?
The canonical SMILES for N-[(1Z,3Z)-3-formamido-1-(4-hydroxyphenyl)-4-(4-methoxyphenyl)buta-1,3-dien-2-yl]formamide is COc1ccc(/C=C(NC=O)/C(=C/c2ccc(O)cc2)NC=O)cc1.
What is the InChIKey of N-[(1Z,3Z)-3-formamido-1-(4-hydroxyphenyl)-4-(4-methoxyphenyl)buta-1,3-dien-2-yl]formamide?
The InChIKey is TYQOIZVNOQGSQC-BJPQZVBLSA-N. The full InChI is InChI=1S/C19H18N2O4/c1-25-17-8-4-15(5-9-17)11-19(21-13-23)18(20-12-22)10-14-2-6-16(24)7-3-14/h2-13,24H,1H3,(H,20,22)(H,21,23)/b18-10-,19-11-.
What are the key properties of N-[(1Z,3Z)-3-formamido-1-(4-hydroxyphenyl)-4-(4-methoxyphenyl)buta-1,3-dien-2-yl]formamide?
N-[(1Z,3Z)-3-formamido-1-(4-hydroxyphenyl)-4-(4-methoxyphenyl)buta-1,3-dien-2-yl]formamide has a molecular weight of 338.36 g/mol, XLogP of 2.27, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1Z,3Z)-3-formamido-1-(4-hydroxyphenyl)-4-(4-methoxyphenyl)buta-1,3-dien-2-yl]formamide is sourced from PubChem (CID 53387667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).