13-(3,4-dimethoxyphenyl)trideca-5,7,9-trienamide

C21H29NO3 — CID 88651362

IUPAC13-(3,4-dimethoxyphenyl)trideca-5,7,9-trienamide
SMILESCOc1ccc(CCCC=CC=CC=CCCCC(N)=O)cc1OC
InChIInChI=1S/C21H29NO3/c1-24-19-16-15-18(17-20(19)25-2)13-11-9-7-5-3-4-6-8-10-12-14-21(22)23/h3-8,15-17H,9-14H2,1-2H3,(H2,22,23)
InChIKeyBPJFRPHXVLGEPP-UHFFFAOYSA-N
MW343.47 g/mol
LogP4.35
Rot. Bonds12

About 13-(3,4-dimethoxyphenyl)trideca-5,7,9-trienamide

13-(3,4-dimethoxyphenyl)trideca-5,7,9-trienamide (PubChem CID 88651362) has the molecular formula C21H29NO3 and a molecular weight of 343.47 g/mol. Its IUPAC name is 13-(3,4-dimethoxyphenyl)trideca-5,7,9-trienamide.

Molecular Properties

Compound Name13-(3,4-dimethoxyphenyl)trideca-5,7,9-trienamide
PubChem CID88651362
Molecular FormulaC21H29NO3
Molecular Weight343.47 g/mol
Exact Mass343.21
IUPAC Name13-(3,4-dimethoxyphenyl)trideca-5,7,9-trienamide
SMILESCOc1ccc(CCCC=CC=CC=CCCCC(N)=O)cc1OC
InChIInChI=1S/C21H29NO3/c1-24-19-16-15-18(17-20(19)25-2)13-11-9-7-5-3-4-6-8-10-12-14-21(22)23/h3-8,15-17H,9-14H2,1-2H3,(H2,22,23)
InChIKeyBPJFRPHXVLGEPP-UHFFFAOYSA-N
XLogP4.35
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.47
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-(3,4-dimethoxyphenyl)propanamide;hydrochloride
CID 70371168
5-(4-hydroxy-3-methoxyphenyl)pentanamide
CID 66838422
(Z)-7-(3,4-dimethoxyphenyl)hept-5-enoic acid
CID 146568350
3-(3,4-dimethoxyphenyl)propyl prop-2-enoate
CID 67718834
6-(3,4-dimethoxyphenyl)hexanoic acid
CID 4577343
4-(3,4-dimethoxyphenyl)-N'-methylbutanehydrazide
CID 116846469
ethyl 5-(3,4-dimethoxyphenyl)pentanoate
CID 15833333
3-(3,4-dimethoxyphenyl)propan-1-amine
CID 2281053
methyl N-[5-(3,4-dimethoxyphenyl)pentanoylamino]carbamate
CID 11001393
5-[(3,4-dimethoxyphenyl)methylamino]pentanamide
CID 106233498
2-amino-5-(3,4-dimethoxyphenyl)pentanoic acid
CID 115005508
N-cyclopropyl-4-(3,4-dimethoxyphenyl)butanamide
CID 110406403

Frequently Asked Questions

What is the IUPAC name of 13-(3,4-dimethoxyphenyl)trideca-5,7,9-trienamide?
The IUPAC name of 13-(3,4-dimethoxyphenyl)trideca-5,7,9-trienamide (CID 88651362) is 13-(3,4-dimethoxyphenyl)trideca-5,7,9-trienamide.
What is the SMILES notation for 13-(3,4-dimethoxyphenyl)trideca-5,7,9-trienamide?
The canonical SMILES for 13-(3,4-dimethoxyphenyl)trideca-5,7,9-trienamide is COc1ccc(CCCC=CC=CC=CCCCC(N)=O)cc1OC.
What is the InChIKey of 13-(3,4-dimethoxyphenyl)trideca-5,7,9-trienamide?
The InChIKey is BPJFRPHXVLGEPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29NO3/c1-24-19-16-15-18(17-20(19)25-2)13-11-9-7-5-3-4-6-8-10-12-14-21(22)23/h3-8,15-17H,9-14H2,1-2H3,(H2,22,23).
What are the key properties of 13-(3,4-dimethoxyphenyl)trideca-5,7,9-trienamide?
13-(3,4-dimethoxyphenyl)trideca-5,7,9-trienamide has a molecular weight of 343.47 g/mol, XLogP of 4.35, 12 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 13-(3,4-dimethoxyphenyl)trideca-5,7,9-trienamide is sourced from PubChem (CID 88651362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).