(2E,5E)-4-(3-methoxyphenyl)hepta-2,5-dienediamide

C14H16N2O3 — CID 170877403

IUPAC(2E,5E)-4-(3-methoxyphenyl)hepta-2,5-dienediamide
SMILESCOc1cccc(C(/C=C/C(N)=O)/C=C/C(N)=O)c1
InChIInChI=1S/C14H16N2O3/c1-19-12-4-2-3-11(9-12)10(5-7-13(15)17)6-8-14(16)18/h2-10H,1H3,(H2,15,17)(H2,16,18)/b7-5+,8-6+
InChIKeyLTAXUZJUXWPOEQ-KQQUZDAGSA-N
MW260.29 g/mol
LogP0.86
Rot. Bonds6

About (2E,5E)-4-(3-methoxyphenyl)hepta-2,5-dienediamide

(2E,5E)-4-(3-methoxyphenyl)hepta-2,5-dienediamide (PubChem CID 170877403) has the molecular formula C14H16N2O3 and a molecular weight of 260.29 g/mol. Its IUPAC name is (2E,5E)-4-(3-methoxyphenyl)hepta-2,5-dienediamide.

Molecular Properties

Compound Name(2E,5E)-4-(3-methoxyphenyl)hepta-2,5-dienediamide
PubChem CID170877403
Molecular FormulaC14H16N2O3
Molecular Weight260.29 g/mol
Exact Mass260.12
IUPAC Name(2E,5E)-4-(3-methoxyphenyl)hepta-2,5-dienediamide
SMILESCOc1cccc(C(/C=C/C(N)=O)/C=C/C(N)=O)c1
InChIInChI=1S/C14H16N2O3/c1-19-12-4-2-3-11(9-12)10(5-7-13(15)17)6-8-14(16)18/h2-10H,1H3,(H2,15,17)(H2,16,18)/b7-5+,8-6+
InChIKeyLTAXUZJUXWPOEQ-KQQUZDAGSA-N
XLogP0.86
TPSA95.41 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.29
LogP ≤ 50.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

4-(3-methylphenyl)hepta-2,5-dienediamide
CID 54086053
2-(3-methoxyphenyl)-2-(methylamino)acetamide
CID 60797274
(2E,5E)-4-(3-chlorophenyl)hepta-2,5-dienediamide
CID 170877400
(2R)-2-(3-methoxyphenyl)propanamide
CID 130713337
2,2-bis(3-methoxyphenyl)acetic acid
CID 67016131
methyl (2R)-2-amino-2-(3-methoxyphenyl)acetate;hydrochloride
CID 171219744
4-amino-2-(3-methoxyphenyl)-4-oxobutanoic acid
CID 141007256
2-amino-N-[(1R)-1-(3-methoxyphenyl)ethyl]propanamide
CID 81372926
2-[(1R)-1-(3-methoxyphenyl)ethyl]benzene-1,3-dicarboxamide
CID 68727161
5-(3-methoxyphenyl)penta-2,4-dienamide;hydrochloride
CID 141059857
2-chloro-2-(3-methoxyphenyl)acetyl chloride
CID 14169390
3-amino-2-hydroxy-3-(3-methoxyphenyl)propanoic acid
CID 53398455

Frequently Asked Questions

What is the IUPAC name of (2E,5E)-4-(3-methoxyphenyl)hepta-2,5-dienediamide?
The IUPAC name of (2E,5E)-4-(3-methoxyphenyl)hepta-2,5-dienediamide (CID 170877403) is (2E,5E)-4-(3-methoxyphenyl)hepta-2,5-dienediamide.
What is the SMILES notation for (2E,5E)-4-(3-methoxyphenyl)hepta-2,5-dienediamide?
The canonical SMILES for (2E,5E)-4-(3-methoxyphenyl)hepta-2,5-dienediamide is COc1cccc(C(/C=C/C(N)=O)/C=C/C(N)=O)c1.
What is the InChIKey of (2E,5E)-4-(3-methoxyphenyl)hepta-2,5-dienediamide?
The InChIKey is LTAXUZJUXWPOEQ-KQQUZDAGSA-N. The full InChI is InChI=1S/C14H16N2O3/c1-19-12-4-2-3-11(9-12)10(5-7-13(15)17)6-8-14(16)18/h2-10H,1H3,(H2,15,17)(H2,16,18)/b7-5+,8-6+.
What are the key properties of (2E,5E)-4-(3-methoxyphenyl)hepta-2,5-dienediamide?
(2E,5E)-4-(3-methoxyphenyl)hepta-2,5-dienediamide has a molecular weight of 260.29 g/mol, XLogP of 0.86, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,5E)-4-(3-methoxyphenyl)hepta-2,5-dienediamide is sourced from PubChem (CID 170877403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).