2,4-dimethoxy-N,N-dioctylbenzamide

C25H43NO3 — CID 139819875

IUPAC2,4-dimethoxy-N,N-dioctylbenzamide
SMILESCCCCCCCCN(CCCCCCCC)C(=O)c1ccc(OC)cc1OC
InChIInChI=1S/C25H43NO3/c1-5-7-9-11-13-15-19-26(20-16-14-12-10-8-6-2)25(27)23-18-17-22(28-3)21-24(23)29-4/h17-18,21H,5-16,19-20H2,1-4H3
InChIKeyNZFNRXFUVMQDSE-UHFFFAOYSA-N
MW405.62 g/mol
LogP6.87
Rot. Bonds17

About 2,4-dimethoxy-N,N-dioctylbenzamide

2,4-dimethoxy-N,N-dioctylbenzamide (PubChem CID 139819875) has the molecular formula C25H43NO3 and a molecular weight of 405.62 g/mol. Its IUPAC name is 2,4-dimethoxy-N,N-dioctylbenzamide.

Molecular Properties

Compound Name2,4-dimethoxy-N,N-dioctylbenzamide
PubChem CID139819875
Molecular FormulaC25H43NO3
Molecular Weight405.62 g/mol
Exact Mass405.32
IUPAC Name2,4-dimethoxy-N,N-dioctylbenzamide
SMILESCCCCCCCCN(CCCCCCCC)C(=O)c1ccc(OC)cc1OC
InChIInChI=1S/C25H43NO3/c1-5-7-9-11-13-15-19-26(20-16-14-12-10-8-6-2)25(27)23-18-17-22(28-3)21-24(23)29-4/h17-18,21H,5-16,19-20H2,1-4H3
InChIKeyNZFNRXFUVMQDSE-UHFFFAOYSA-N
XLogP6.87
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds17
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500405.62
LogP ≤ 56.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-bromo-N-hexyl-N-(2-hydroxyethyl)-5-methoxybenzamide
CID 61026260
2,4-dimethoxy-N-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]-N-pentylbenzamide
CID 4151032
N-(2-aminoethyl)-N-butyl-2-fluoro-4-methoxybenzamide
CID 102885358
N-ethyl-2,4-dimethoxy-N-(2-phenylethyl)benzamide
CID 54790307
5-formyl-2-methoxy-N,N-dipentylbenzamide
CID 22716819
2,4-dimethoxy-N-(oxan-2-ylmethyl)-N-propylbenzamide
CID 56803297
2-fluoro-4-methoxy-N,N-dipropylbenzamide
CID 78805083
2,4-dimethoxy-1-oct-1-en-2-ylbenzene
CID 101483089
N-(3-aminopropyl)-2-hydroxy-4-methoxy-N-propylbenzamide
CID 43319215
N-(2-bromoethyl)-N-butyl-2-hydroxy-5-methoxybenzamide
CID 80662499
N,N-dibutyl-4-methoxybenzamide
CID 2163395
2-amino-4-methoxy-N-methyl-N-pentylbenzamide
CID 113305128

Frequently Asked Questions

What is the IUPAC name of 2,4-dimethoxy-N,N-dioctylbenzamide?
The IUPAC name of 2,4-dimethoxy-N,N-dioctylbenzamide (CID 139819875) is 2,4-dimethoxy-N,N-dioctylbenzamide.
What is the SMILES notation for 2,4-dimethoxy-N,N-dioctylbenzamide?
The canonical SMILES for 2,4-dimethoxy-N,N-dioctylbenzamide is CCCCCCCCN(CCCCCCCC)C(=O)c1ccc(OC)cc1OC.
What is the InChIKey of 2,4-dimethoxy-N,N-dioctylbenzamide?
The InChIKey is NZFNRXFUVMQDSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H43NO3/c1-5-7-9-11-13-15-19-26(20-16-14-12-10-8-6-2)25(27)23-18-17-22(28-3)21-24(23)29-4/h17-18,21H,5-16,19-20H2,1-4H3.
What are the key properties of 2,4-dimethoxy-N,N-dioctylbenzamide?
2,4-dimethoxy-N,N-dioctylbenzamide has a molecular weight of 405.62 g/mol, XLogP of 6.87, 17 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethoxy-N,N-dioctylbenzamide is sourced from PubChem (CID 139819875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).