1-(2,5-dimethoxyphenyl)-3-[[4-[(2E,4Z)-hexa-2,4-dien-3-yl]oxyphenyl]methyl]urea

C22H26N2O4 — CID 144581525

IUPAC1-(2,5-dimethoxyphenyl)-3-[[4-[(2E,4Z)-hexa-2,4-dien-3-yl]oxyphenyl]methyl]urea
SMILESC/C=C\C(=C/C)Oc1ccc(CNC(=O)Nc2cc(OC)ccc2OC)cc1
InChIInChI=1S/C22H26N2O4/c1-5-7-17(6-2)28-18-10-8-16(9-11-18)15-23-22(25)24-20-14-19(26-3)12-13-21(20)27-4/h5-14H,15H2,1-4H3,(H2,23,24,25)/b7-5-,17-6+
InChIKeyCXTWLVKXXCXBER-APZVSDDJSA-N
MW382.46 g/mol
LogP4.88
Rot. Bonds8

About 1-(2,5-dimethoxyphenyl)-3-[[4-[(2E,4Z)-hexa-2,4-dien-3-yl]oxyphenyl]methyl]urea

1-(2,5-dimethoxyphenyl)-3-[[4-[(2E,4Z)-hexa-2,4-dien-3-yl]oxyphenyl]methyl]urea (PubChem CID 144581525) has the molecular formula C22H26N2O4 and a molecular weight of 382.46 g/mol. Its IUPAC name is 1-(2,5-dimethoxyphenyl)-3-[[4-[(2E,4Z)-hexa-2,4-dien-3-yl]oxyphenyl]methyl]urea.

Molecular Properties

Compound Name1-(2,5-dimethoxyphenyl)-3-[[4-[(2E,4Z)-hexa-2,4-dien-3-yl]oxyphenyl]methyl]urea
PubChem CID144581525
Molecular FormulaC22H26N2O4
Molecular Weight382.46 g/mol
Exact Mass382.19
IUPAC Name1-(2,5-dimethoxyphenyl)-3-[[4-[(2E,4Z)-hexa-2,4-dien-3-yl]oxyphenyl]methyl]urea
SMILESC/C=C\C(=C/C)Oc1ccc(CNC(=O)Nc2cc(OC)ccc2OC)cc1
InChIInChI=1S/C22H26N2O4/c1-5-7-17(6-2)28-18-10-8-16(9-11-18)15-23-22(25)24-20-14-19(26-3)12-13-21(20)27-4/h5-14H,15H2,1-4H3,(H2,23,24,25)/b7-5-,17-6+
InChIKeyCXTWLVKXXCXBER-APZVSDDJSA-N
XLogP4.88
TPSA68.82 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.46
LogP ≤ 54.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

Analyze 1-(2,5-dimethoxyphenyl)-3-[[4-[(2E,4Z)-hexa-2,4-dien-3-yl]oxyphenyl]methyl]urea with MolForge

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Related Compounds

1-(2-methoxy-5-methylphenyl)-3-[(4-methylphenyl)methyl]urea
CID 6467864
N'-(2,5-dimethoxyphenyl)-N-[(4-methylphenyl)methyl]oxamide
CID 2272409
1-[(4-chlorophenyl)methyl]-3-(2,4-dimethoxyphenyl)urea
CID 17283665
1-benzyl-3-(2-methoxy-5-methylphenyl)urea
CID 4694869
1-(5-methoxy-2-propan-2-yloxyphenyl)-3-[(4-methylsulfanylphenyl)methyl]urea
CID 86897116
3-(2,5-dimethoxyanilino)-N-[(4-methoxyphenyl)methyl]propanamide
CID 109022353
1-(2-hydroxy-4-methylphenyl)-3-[(4-methoxyphenyl)methyl]urea
CID 108868237
1-(2,5-dimethoxyphenyl)-3-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]urea
CID 121122910
N-(2,5-dimethoxyphenyl)-3-[(4-methoxyphenyl)methylamino]propanamide
CID 109022511
1-(2-hydroxyphenyl)-3-[(4-methoxyphenyl)methyl]urea
CID 108868159
1-(2,5-dimethoxyphenyl)-3-[2-(3-methoxyphenyl)ethyl]urea
CID 23880823
1-(5-bromo-2-methoxyphenyl)-3-[(4-chlorophenyl)methyl]urea
CID 60545784

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dimethoxyphenyl)-3-[[4-[(2E,4Z)-hexa-2,4-dien-3-yl]oxyphenyl]methyl]urea?
The IUPAC name of 1-(2,5-dimethoxyphenyl)-3-[[4-[(2E,4Z)-hexa-2,4-dien-3-yl]oxyphenyl]methyl]urea (CID 144581525) is 1-(2,5-dimethoxyphenyl)-3-[[4-[(2E,4Z)-hexa-2,4-dien-3-yl]oxyphenyl]methyl]urea.
What is the SMILES notation for 1-(2,5-dimethoxyphenyl)-3-[[4-[(2E,4Z)-hexa-2,4-dien-3-yl]oxyphenyl]methyl]urea?
The canonical SMILES for 1-(2,5-dimethoxyphenyl)-3-[[4-[(2E,4Z)-hexa-2,4-dien-3-yl]oxyphenyl]methyl]urea is C/C=C\C(=C/C)Oc1ccc(CNC(=O)Nc2cc(OC)ccc2OC)cc1.
What is the InChIKey of 1-(2,5-dimethoxyphenyl)-3-[[4-[(2E,4Z)-hexa-2,4-dien-3-yl]oxyphenyl]methyl]urea?
The InChIKey is CXTWLVKXXCXBER-APZVSDDJSA-N. The full InChI is InChI=1S/C22H26N2O4/c1-5-7-17(6-2)28-18-10-8-16(9-11-18)15-23-22(25)24-20-14-19(26-3)12-13-21(20)27-4/h5-14H,15H2,1-4H3,(H2,23,24,25)/b7-5-,17-6+.
What are the key properties of 1-(2,5-dimethoxyphenyl)-3-[[4-[(2E,4Z)-hexa-2,4-dien-3-yl]oxyphenyl]methyl]urea?
1-(2,5-dimethoxyphenyl)-3-[[4-[(2E,4Z)-hexa-2,4-dien-3-yl]oxyphenyl]methyl]urea has a molecular weight of 382.46 g/mol, XLogP of 4.88, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dimethoxyphenyl)-3-[[4-[(2E,4Z)-hexa-2,4-dien-3-yl]oxyphenyl]methyl]urea is sourced from PubChem (CID 144581525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).