5-acetamido-1-N,1-N,3-N,3-N-tetracyclohexylbenzene-1,3-dicarboxamide

C34H51N3O3 — CID 54104460

IUPAC5-acetamido-1-N,1-N,3-N,3-N-tetracyclohexylbenzene-1,3-dicarboxamide
SMILESCC(=O)Nc1cc(C(=O)N(C2CCCCC2)C2CCCCC2)cc(C(=O)N(C2CCCCC2)C2CCCCC2)c1
InChIInChI=1S/C34H51N3O3/c1-25(38)35-28-23-26(33(39)36(29-14-6-2-7-15-29)30-16-8-3-9-17-30)22-27(24-28)34(40)37(31-18-10-4-11-19-31)32-20-12-5-13-21-32/h22-24,29-32H,2-21H2,1H3,(H,35,38)
InChIKeyNCTPTTHSXGAWAT-UHFFFAOYSA-N
MW549.80 g/mol
LogP7.86
Rot. Bonds7

About 5-acetamido-1-N,1-N,3-N,3-N-tetracyclohexylbenzene-1,3-dicarboxamide

5-acetamido-1-N,1-N,3-N,3-N-tetracyclohexylbenzene-1,3-dicarboxamide (PubChem CID 54104460) has the molecular formula C34H51N3O3 and a molecular weight of 549.80 g/mol. Its IUPAC name is 5-acetamido-1-N,1-N,3-N,3-N-tetracyclohexylbenzene-1,3-dicarboxamide.

Molecular Properties

Compound Name5-acetamido-1-N,1-N,3-N,3-N-tetracyclohexylbenzene-1,3-dicarboxamide
PubChem CID54104460
Molecular FormulaC34H51N3O3
Molecular Weight549.80 g/mol
Exact Mass549.39
IUPAC Name5-acetamido-1-N,1-N,3-N,3-N-tetracyclohexylbenzene-1,3-dicarboxamide
SMILESCC(=O)Nc1cc(C(=O)N(C2CCCCC2)C2CCCCC2)cc(C(=O)N(C2CCCCC2)C2CCCCC2)c1
InChIInChI=1S/C34H51N3O3/c1-25(38)35-28-23-26(33(39)36(29-14-6-2-7-15-29)30-16-8-3-9-17-30)22-27(24-28)34(40)37(31-18-10-4-11-19-31)32-20-12-5-13-21-32/h22-24,29-32H,2-21H2,1H3,(H,35,38)
InChIKeyNCTPTTHSXGAWAT-UHFFFAOYSA-N
XLogP7.86
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500549.80
LogP ≤ 57.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3,5-ditert-butyl-N,N-dicyclohexyl-4-hydroxybenzamide
CID 11835262
3-[acetyl(cycloheptyl)amino]-N-(3-acetylphenyl)propanamide
CID 113122753
N-cyclohexyl-N-cyclopropyl-4-methoxybenzamide;methyl acetate
CID 143724469
4-acetamido-N-cyclopropyl-N-(1,1-dioxothiolan-3-yl)benzamide
CID 110744264
N,N-dicyclohexyl-4-fluorobenzamide
CID 784952
4-bromo-N-cyclohexyl-N-cyclopentylbenzamide
CID 19754888
N-[1-[3,5-bis[1-(dicyclohexylamino)ethenyl]phenyl]ethenyl]-N-cyclohexylcyclohexanamine
CID 171722657
N-(3,5-diacetamidophenyl)acetamide
CID 12731559
3,5-diacetamido-N-cyclopropyl-N-[(4-methoxyphenyl)methyl]benzamide
CID 39966520
dimethyl 5-acetamidobenzene-1,3-dicarboxylate
CID 610627
N-cyclohexyl-N-cyclopropyl-3-phosphanylbenzamide
CID 143724449
N-[4-(cyclooctanecarbonyl)phenyl]acetamide
CID 65018343

Frequently Asked Questions

What is the IUPAC name of 5-acetamido-1-N,1-N,3-N,3-N-tetracyclohexylbenzene-1,3-dicarboxamide?
The IUPAC name of 5-acetamido-1-N,1-N,3-N,3-N-tetracyclohexylbenzene-1,3-dicarboxamide (CID 54104460) is 5-acetamido-1-N,1-N,3-N,3-N-tetracyclohexylbenzene-1,3-dicarboxamide.
What is the SMILES notation for 5-acetamido-1-N,1-N,3-N,3-N-tetracyclohexylbenzene-1,3-dicarboxamide?
The canonical SMILES for 5-acetamido-1-N,1-N,3-N,3-N-tetracyclohexylbenzene-1,3-dicarboxamide is CC(=O)Nc1cc(C(=O)N(C2CCCCC2)C2CCCCC2)cc(C(=O)N(C2CCCCC2)C2CCCCC2)c1.
What is the InChIKey of 5-acetamido-1-N,1-N,3-N,3-N-tetracyclohexylbenzene-1,3-dicarboxamide?
The InChIKey is NCTPTTHSXGAWAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H51N3O3/c1-25(38)35-28-23-26(33(39)36(29-14-6-2-7-15-29)30-16-8-3-9-17-30)22-27(24-28)34(40)37(31-18-10-4-11-19-31)32-20-12-5-13-21-32/h22-24,29-32H,2-21H2,1H3,(H,35,38).
What are the key properties of 5-acetamido-1-N,1-N,3-N,3-N-tetracyclohexylbenzene-1,3-dicarboxamide?
5-acetamido-1-N,1-N,3-N,3-N-tetracyclohexylbenzene-1,3-dicarboxamide has a molecular weight of 549.80 g/mol, XLogP of 7.86, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-acetamido-1-N,1-N,3-N,3-N-tetracyclohexylbenzene-1,3-dicarboxamide is sourced from PubChem (CID 54104460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).