1-N,4-N-bis(2-butoxyphenyl)benzene-1,4-dicarboxamide

C28H32N2O4 — CID 17087319

IUPAC1-N,4-N-bis(2-butoxyphenyl)benzene-1,4-dicarboxamide
SMILESCCCCOc1ccccc1NC(=O)c1ccc(C(=O)Nc2ccccc2OCCCC)cc1
InChIInChI=1S/C28H32N2O4/c1-3-5-19-33-25-13-9-7-11-23(25)29-27(31)21-15-17-22(18-16-21)28(32)30-24-12-8-10-14-26(24)34-20-6-4-2/h7-18H,3-6,19-20H2,1-2H3,(H,29,31)(H,30,32)
InChIKeyUQHGQIIMTJASLZ-UHFFFAOYSA-N
MW460.57 g/mol
LogP6.55
Rot. Bonds12

About 1-N,4-N-bis(2-butoxyphenyl)benzene-1,4-dicarboxamide

1-N,4-N-bis(2-butoxyphenyl)benzene-1,4-dicarboxamide (PubChem CID 17087319) has the molecular formula C28H32N2O4 and a molecular weight of 460.57 g/mol. Its IUPAC name is 1-N,4-N-bis(2-butoxyphenyl)benzene-1,4-dicarboxamide.

Molecular Properties

Compound Name1-N,4-N-bis(2-butoxyphenyl)benzene-1,4-dicarboxamide
PubChem CID17087319
Molecular FormulaC28H32N2O4
Molecular Weight460.57 g/mol
Exact Mass460.24
IUPAC Name1-N,4-N-bis(2-butoxyphenyl)benzene-1,4-dicarboxamide
SMILESCCCCOc1ccccc1NC(=O)c1ccc(C(=O)Nc2ccccc2OCCCC)cc1
InChIInChI=1S/C28H32N2O4/c1-3-5-19-33-25-13-9-7-11-23(25)29-27(31)21-15-17-22(18-16-21)28(32)30-24-12-8-10-14-26(24)34-20-6-4-2/h7-18H,3-6,19-20H2,1-2H3,(H,29,31)(H,30,32)
InChIKeyUQHGQIIMTJASLZ-UHFFFAOYSA-N
XLogP6.55
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500460.57
LogP ≤ 56.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(2-ethoxyphenyl)-4-heptoxybenzamide
CID 4950665
4-butoxy-3-methoxy-N-(2-propoxyphenyl)benzamide
CID 26897955
1,3-bis(2-butoxyphenyl)urea
CID 17170447
4-hexoxy-N-(2-methoxyphenyl)benzamide
CID 4933658
4-(bromomethyl)-N-(2-propoxyphenyl)benzamide
CID 102851101
N-(2-butoxyphenyl)propanamide
CID 15943029
N-(2-butoxyphenyl)-4-(cyclopropylsulfamoyl)benzamide
CID 55953705
4-ethoxy-N-[2-(3-phenylpropoxy)phenyl]benzamide
CID 17131440
N-(2-butoxyphenyl)-4-[(1-methylimidazol-2-yl)methoxy]benzamide
CID 55906144
N,N'-bis(2-butoxyphenyl)hexanediamide
CID 17087317
[2-[(4-octoxybenzoyl)amino]phenyl] dihydrogen phosphate
CID 155429698
N-[2-[(4-butoxybenzoyl)amino]phenyl]-4-methoxybenzamide
CID 10811951

Frequently Asked Questions

What is the IUPAC name of 1-N,4-N-bis(2-butoxyphenyl)benzene-1,4-dicarboxamide?
The IUPAC name of 1-N,4-N-bis(2-butoxyphenyl)benzene-1,4-dicarboxamide (CID 17087319) is 1-N,4-N-bis(2-butoxyphenyl)benzene-1,4-dicarboxamide.
What is the SMILES notation for 1-N,4-N-bis(2-butoxyphenyl)benzene-1,4-dicarboxamide?
The canonical SMILES for 1-N,4-N-bis(2-butoxyphenyl)benzene-1,4-dicarboxamide is CCCCOc1ccccc1NC(=O)c1ccc(C(=O)Nc2ccccc2OCCCC)cc1.
What is the InChIKey of 1-N,4-N-bis(2-butoxyphenyl)benzene-1,4-dicarboxamide?
The InChIKey is UQHGQIIMTJASLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H32N2O4/c1-3-5-19-33-25-13-9-7-11-23(25)29-27(31)21-15-17-22(18-16-21)28(32)30-24-12-8-10-14-26(24)34-20-6-4-2/h7-18H,3-6,19-20H2,1-2H3,(H,29,31)(H,30,32).
What are the key properties of 1-N,4-N-bis(2-butoxyphenyl)benzene-1,4-dicarboxamide?
1-N,4-N-bis(2-butoxyphenyl)benzene-1,4-dicarboxamide has a molecular weight of 460.57 g/mol, XLogP of 6.55, 12 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,4-N-bis(2-butoxyphenyl)benzene-1,4-dicarboxamide is sourced from PubChem (CID 17087319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).