3-ethoxy-N-(2-propan-2-ylphenyl)benzamide

C18H21NO2 — CID 799138

IUPAC3-ethoxy-N-(2-propan-2-ylphenyl)benzamide
SMILESCCOc1cccc(C(=O)Nc2ccccc2C(C)C)c1
InChIInChI=1S/C18H21NO2/c1-4-21-15-9-7-8-14(12-15)18(20)19-17-11-6-5-10-16(17)13(2)3/h5-13H,4H2,1-3H3,(H,19,20)
InChIKeyQCMUBNBWWJPAFH-UHFFFAOYSA-N
MW283.37 g/mol
LogP4.46
Rot. Bonds5

About 3-ethoxy-N-(2-propan-2-ylphenyl)benzamide

3-ethoxy-N-(2-propan-2-ylphenyl)benzamide (PubChem CID 799138) has the molecular formula C18H21NO2 and a molecular weight of 283.37 g/mol. Its IUPAC name is 3-ethoxy-N-(2-propan-2-ylphenyl)benzamide.

Molecular Properties

Compound Name3-ethoxy-N-(2-propan-2-ylphenyl)benzamide
PubChem CID799138
Molecular FormulaC18H21NO2
Molecular Weight283.37 g/mol
Exact Mass283.16
IUPAC Name3-ethoxy-N-(2-propan-2-ylphenyl)benzamide
SMILESCCOc1cccc(C(=O)Nc2ccccc2C(C)C)c1
InChIInChI=1S/C18H21NO2/c1-4-21-15-9-7-8-14(12-15)18(20)19-17-11-6-5-10-16(17)13(2)3/h5-13H,4H2,1-3H3,(H,19,20)
InChIKeyQCMUBNBWWJPAFH-UHFFFAOYSA-N
XLogP4.46
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.37
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-ethoxy-N-[2-[(3-ethoxybenzoyl)amino]phenyl]benzamide
CID 4958088
3-(2-methylprop-2-enoxy)-N-(2-propan-2-ylphenyl)benzamide
CID 17133124
N-[2-[(2S)-butan-2-yl]phenyl]-3-(2-methylpropoxy)benzamide
CID 959928
methyl 2-[(3-ethoxybenzoyl)amino]benzoate
CID 881681
N-[2-(difluoromethoxy)phenyl]-3-ethoxybenzamide
CID 934563
3,4,5-triethoxy-N-(2-propan-2-ylphenyl)benzamide
CID 1350696
3-[(2-propan-2-ylphenyl)carbamoyl]benzoic acid
CID 43452749
N-(2-propan-2-ylphenyl)benzamide
CID 723391
3-chloro-N-(2-propan-2-ylphenyl)benzamide
CID 681881
3-ethoxy-N-(2-phenylmethoxyphenyl)benzamide
CID 17093571
3-ethoxy-N-(2,4,5-trichlorophenyl)benzamide
CID 790473
3-[(6-bromo-2-pyridinyl)oxy]-N-(2-propan-2-ylphenyl)benzamide
CID 13309756

Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-N-(2-propan-2-ylphenyl)benzamide?
The IUPAC name of 3-ethoxy-N-(2-propan-2-ylphenyl)benzamide (CID 799138) is 3-ethoxy-N-(2-propan-2-ylphenyl)benzamide.
What is the SMILES notation for 3-ethoxy-N-(2-propan-2-ylphenyl)benzamide?
The canonical SMILES for 3-ethoxy-N-(2-propan-2-ylphenyl)benzamide is CCOc1cccc(C(=O)Nc2ccccc2C(C)C)c1.
What is the InChIKey of 3-ethoxy-N-(2-propan-2-ylphenyl)benzamide?
The InChIKey is QCMUBNBWWJPAFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO2/c1-4-21-15-9-7-8-14(12-15)18(20)19-17-11-6-5-10-16(17)13(2)3/h5-13H,4H2,1-3H3,(H,19,20).
What are the key properties of 3-ethoxy-N-(2-propan-2-ylphenyl)benzamide?
3-ethoxy-N-(2-propan-2-ylphenyl)benzamide has a molecular weight of 283.37 g/mol, XLogP of 4.46, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-N-(2-propan-2-ylphenyl)benzamide is sourced from PubChem (CID 799138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).