N-(4-ethylbenzoyl)-2-methoxybenzamide

C17H17NO3 — CID 71594640

IUPACN-(4-ethylbenzoyl)-2-methoxybenzamide
SMILESCCc1ccc(C(=O)NC(=O)c2ccccc2OC)cc1
InChIInChI=1S/C17H17NO3/c1-3-12-8-10-13(11-9-12)16(19)18-17(20)14-6-4-5-7-15(14)21-2/h4-11H,3H2,1-2H3,(H,18,19,20)
InChIKeyXHFBQKSCQHHVAI-UHFFFAOYSA-N
MW283.33 g/mol
LogP2.83
Rot. Bonds4

About N-(4-ethylbenzoyl)-2-methoxybenzamide

N-(4-ethylbenzoyl)-2-methoxybenzamide (PubChem CID 71594640) has the molecular formula C17H17NO3 and a molecular weight of 283.33 g/mol. Its IUPAC name is N-(4-ethylbenzoyl)-2-methoxybenzamide.

Molecular Properties

Compound NameN-(4-ethylbenzoyl)-2-methoxybenzamide
PubChem CID71594640
Molecular FormulaC17H17NO3
Molecular Weight283.33 g/mol
Exact Mass283.12
IUPAC NameN-(4-ethylbenzoyl)-2-methoxybenzamide
SMILESCCc1ccc(C(=O)NC(=O)c2ccccc2OC)cc1
InChIInChI=1S/C17H17NO3/c1-3-12-8-10-13(11-9-12)16(19)18-17(20)14-6-4-5-7-15(14)21-2/h4-11H,3H2,1-2H3,(H,18,19,20)
InChIKeyXHFBQKSCQHHVAI-UHFFFAOYSA-N
XLogP2.83
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.33
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-Ethoxybenzamide
CID 3282
2-Methoxybenzamide
CID 75540
Exalamide
CID 3316
2-hydroxy-N-(4-propylbenzoyl)benzamide
CID 2815186
2-methoxy-N-[(1-phenylcyclopentyl)methyl]benzamide
CID 808577
N-[3-(dimethylamino)propyl]-2-phenoxybenzamide
CID 1928169
N-(4-methoxyphenethyl)benzamide
CID 3083797
N-(4-methoxybenzyl)biphenyl-4-carboxamide
CID 710674
N-[(4-methoxyphenyl)methyl]-4-methylbenzamide
CID 720058
2-Methoxy-N-(3-methyl-2-phenyl-butyl)-benzamide
CID 44270882
5-methoxy-3-(4-methylphenyl)-2H-isoquinolin-1-one
CID 76284556
N,N-Diethyl-4-[(2-methoxy-phenyl)-piperidin-4-ylidene-methyl]-benzamide
CID 10809678

Frequently Asked Questions

What is the IUPAC name of N-(4-ethylbenzoyl)-2-methoxybenzamide?
The IUPAC name of N-(4-ethylbenzoyl)-2-methoxybenzamide (CID 71594640) is N-(4-ethylbenzoyl)-2-methoxybenzamide.
What is the SMILES notation for N-(4-ethylbenzoyl)-2-methoxybenzamide?
The canonical SMILES for N-(4-ethylbenzoyl)-2-methoxybenzamide is CCc1ccc(C(=O)NC(=O)c2ccccc2OC)cc1.
What is the InChIKey of N-(4-ethylbenzoyl)-2-methoxybenzamide?
The InChIKey is XHFBQKSCQHHVAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NO3/c1-3-12-8-10-13(11-9-12)16(19)18-17(20)14-6-4-5-7-15(14)21-2/h4-11H,3H2,1-2H3,(H,18,19,20).
What are the key properties of N-(4-ethylbenzoyl)-2-methoxybenzamide?
N-(4-ethylbenzoyl)-2-methoxybenzamide has a molecular weight of 283.33 g/mol, XLogP of 2.83, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethylbenzoyl)-2-methoxybenzamide is sourced from PubChem (CID 71594640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).