1-N,4-N-didodecyl-2-tetradecoxybenzene-1,4-dicarboxamide

C46H84N2O3 — CID 101293031

IUPAC1-N,4-N-didodecyl-2-tetradecoxybenzene-1,4-dicarboxamide
SMILESCCCCCCCCCCCCCCOc1cc(C(=O)NCCCCCCCCCCCC)ccc1C(=O)NCCCCCCCCCCCC
InChIInChI=1S/C46H84N2O3/c1-4-7-10-13-16-19-22-23-26-29-32-35-40-51-44-41-42(45(49)47-38-33-30-27-24-20-17-14-11-8-5-2)36-37-43(44)46(50)48-39-34-31-28-25-21-18-15-12-9-6-3/h36-37,41H,4-35,38-40H2,1-3H3,(H,47,49)(H,48,50)
InChIKeyQUEDWSPDOCTYML-UHFFFAOYSA-N
MW713.19 g/mol
LogP14.07
Rot. Bonds38

About 1-N,4-N-didodecyl-2-tetradecoxybenzene-1,4-dicarboxamide

1-N,4-N-didodecyl-2-tetradecoxybenzene-1,4-dicarboxamide (PubChem CID 101293031) has the molecular formula C46H84N2O3 and a molecular weight of 713.19 g/mol. Its IUPAC name is 1-N,4-N-didodecyl-2-tetradecoxybenzene-1,4-dicarboxamide.

Molecular Properties

Compound Name1-N,4-N-didodecyl-2-tetradecoxybenzene-1,4-dicarboxamide
PubChem CID101293031
Molecular FormulaC46H84N2O3
Molecular Weight713.19 g/mol
Exact Mass712.65
IUPAC Name1-N,4-N-didodecyl-2-tetradecoxybenzene-1,4-dicarboxamide
SMILESCCCCCCCCCCCCCCOc1cc(C(=O)NCCCCCCCCCCCC)ccc1C(=O)NCCCCCCCCCCCC
InChIInChI=1S/C46H84N2O3/c1-4-7-10-13-16-19-22-23-26-29-32-35-40-51-44-41-42(45(49)47-38-33-30-27-24-20-17-14-11-8-5-2)36-37-43(44)46(50)48-39-34-31-28-25-21-18-15-12-9-6-3/h36-37,41H,4-35,38-40H2,1-3H3,(H,47,49)(H,48,50)
InChIKeyQUEDWSPDOCTYML-UHFFFAOYSA-N
XLogP14.07
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds38
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500713.19
LogP ≤ 514.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-N,4-N-didodecyl-2-tetradecoxybenzene-1,4-dicarboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-dodecoxy-1-N,4-N-dioctylbenzene-1,4-dicarboxamide
CID 101292977
2-decoxy-1-N,4-N-dioctadecylbenzene-1,4-dicarboxamide
CID 101292937
1-N,4-N-di(octacosyl)-2-tetradecoxybenzene-1,4-dicarboxamide
CID 101293047
2-heptadecoxy-1-N,4-N-di(pentacosyl)benzene-1,4-dicarboxamide
CID 101293119
2-hexoxy-1-N,4-N-di(tetradecyl)benzene-1,4-dicarboxamide
CID 101292833
1-N,4-N-di(henicosyl)-2-hexoxybenzene-1,4-dicarboxamide
CID 101292840
2-heptadecoxy-1-N,4-N-di(octacosyl)benzene-1,4-dicarboxamide
CID 101293122
1-N,4-N-dioctadecyl-2-tetradecoxybenzene-1,4-dicarboxamide
CID 101293037
2-butoxy-N-[8-[(2-butoxybenzoyl)amino]octyl]benzamide
CID 17233378
4-butoxy-N-hexadecylbenzamide
CID 4936106
3,4-dimethoxy-N-octadecylbenzamide
CID 20530777
2-octadecoxyterephthalic acid
CID 142668937

Frequently Asked Questions

What is the IUPAC name of 1-N,4-N-didodecyl-2-tetradecoxybenzene-1,4-dicarboxamide?
The IUPAC name of 1-N,4-N-didodecyl-2-tetradecoxybenzene-1,4-dicarboxamide (CID 101293031) is 1-N,4-N-didodecyl-2-tetradecoxybenzene-1,4-dicarboxamide.
What is the SMILES notation for 1-N,4-N-didodecyl-2-tetradecoxybenzene-1,4-dicarboxamide?
The canonical SMILES for 1-N,4-N-didodecyl-2-tetradecoxybenzene-1,4-dicarboxamide is CCCCCCCCCCCCCCOc1cc(C(=O)NCCCCCCCCCCCC)ccc1C(=O)NCCCCCCCCCCCC.
What is the InChIKey of 1-N,4-N-didodecyl-2-tetradecoxybenzene-1,4-dicarboxamide?
The InChIKey is QUEDWSPDOCTYML-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H84N2O3/c1-4-7-10-13-16-19-22-23-26-29-32-35-40-51-44-41-42(45(49)47-38-33-30-27-24-20-17-14-11-8-5-2)36-37-43(44)46(50)48-39-34-31-28-25-21-18-15-12-9-6-3/h36-37,41H,4-35,38-40H2,1-3H3,(H,47,49)(H,48,50).
What are the key properties of 1-N,4-N-didodecyl-2-tetradecoxybenzene-1,4-dicarboxamide?
1-N,4-N-didodecyl-2-tetradecoxybenzene-1,4-dicarboxamide has a molecular weight of 713.19 g/mol, XLogP of 14.07, 38 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,4-N-didodecyl-2-tetradecoxybenzene-1,4-dicarboxamide is sourced from PubChem (CID 101293031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).