benzamide;1,4-diethoxybenzene

C17H21NO3 — CID 162120306

IUPACbenzamide;1,4-diethoxybenzene
SMILESCCOc1ccc(OCC)cc1.NC(=O)c1ccccc1
InChIInChI=1S/C10H14O2.C7H7NO/c1-3-11-9-5-7-10(8-6-9)12-4-2;8-7(9)6-4-2-1-3-5-6/h5-8H,3-4H2,1-2H3;1-5H,(H2,8,9)
InChIKeyZHHZZIGHCJYCCO-UHFFFAOYSA-N
MW287.36 g/mol
LogP3.27
Rot. Bonds5

About benzamide;1,4-diethoxybenzene

benzamide;1,4-diethoxybenzene (PubChem CID 162120306) has the molecular formula C17H21NO3 and a molecular weight of 287.36 g/mol. Its IUPAC name is benzamide;1,4-diethoxybenzene.

Molecular Properties

Compound Namebenzamide;1,4-diethoxybenzene
PubChem CID162120306
Molecular FormulaC17H21NO3
Molecular Weight287.36 g/mol
Exact Mass287.15
IUPAC Namebenzamide;1,4-diethoxybenzene
SMILESCCOc1ccc(OCC)cc1.NC(=O)c1ccccc1
InChIInChI=1S/C10H14O2.C7H7NO/c1-3-11-9-5-7-10(8-6-9)12-4-2;8-7(9)6-4-2-1-3-5-6/h5-8H,3-4H2,1-2H3;1-5H,(H2,8,9)
InChIKeyZHHZZIGHCJYCCO-UHFFFAOYSA-N
XLogP3.27
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(4-ethoxyphenyl)benzamide
CID 163572533
N-(4-carbamoylphenyl)-N'-(4-ethoxyphenyl)oxamide
CID 45001359
(4-ethoxyphenyl)methyl benzoate
CID 91595481
benzamide;ethyl carbonochloridate;hydrochloride
CID 174390729
benzamide;3-ethoxy-3-oxopropanoic acid
CID 174904101
3-[(4-ethoxyphenyl)methylamino]benzamide
CID 28650475
N-[(4-ethoxyphenyl)carbamoyl]benzamide
CID 2986057
benzamide;hydron
CID 68819060
CID 67738089
CID 67738089
[2-(4-ethoxyphenyl)-2-oxoethyl] 4-benzoylbenzoate
CID 7203723
2-(4-ethoxyphenoxy)-1-phenylbutan-1-one
CID 43799769
4-ethoxy-N'-phenylbenzohydrazide
CID 12065813

Frequently Asked Questions

What is the IUPAC name of benzamide;1,4-diethoxybenzene?
The IUPAC name of benzamide;1,4-diethoxybenzene (CID 162120306) is benzamide;1,4-diethoxybenzene.
What is the SMILES notation for benzamide;1,4-diethoxybenzene?
The canonical SMILES for benzamide;1,4-diethoxybenzene is CCOc1ccc(OCC)cc1.NC(=O)c1ccccc1.
What is the InChIKey of benzamide;1,4-diethoxybenzene?
The InChIKey is ZHHZZIGHCJYCCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14O2.C7H7NO/c1-3-11-9-5-7-10(8-6-9)12-4-2;8-7(9)6-4-2-1-3-5-6/h5-8H,3-4H2,1-2H3;1-5H,(H2,8,9).
What are the key properties of benzamide;1,4-diethoxybenzene?
benzamide;1,4-diethoxybenzene has a molecular weight of 287.36 g/mol, XLogP of 3.27, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzamide;1,4-diethoxybenzene is sourced from PubChem (CID 162120306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).