3-formyl-N-[2-(4-methoxyphenyl)ethyl]benzamide

C17H17NO3 — CID 141386769

IUPAC3-formyl-N-[2-(4-methoxyphenyl)ethyl]benzamide
SMILESCOc1ccc(CCNC(=O)c2cccc(C=O)c2)cc1
InChIInChI=1S/C17H17NO3/c1-21-16-7-5-13(6-8-16)9-10-18-17(20)15-4-2-3-14(11-15)12-19/h2-8,11-12H,9-10H2,1H3,(H,18,20)
InChIKeyRSPJFSWHJHIPAT-UHFFFAOYSA-N
MW283.33 g/mol
LogP2.48
Rot. Bonds6

About 3-formyl-N-[2-(4-methoxyphenyl)ethyl]benzamide

3-formyl-N-[2-(4-methoxyphenyl)ethyl]benzamide (PubChem CID 141386769) has the molecular formula C17H17NO3 and a molecular weight of 283.33 g/mol. Its IUPAC name is 3-formyl-N-[2-(4-methoxyphenyl)ethyl]benzamide.

Molecular Properties

Compound Name3-formyl-N-[2-(4-methoxyphenyl)ethyl]benzamide
PubChem CID141386769
Molecular FormulaC17H17NO3
Molecular Weight283.33 g/mol
Exact Mass283.12
IUPAC Name3-formyl-N-[2-(4-methoxyphenyl)ethyl]benzamide
SMILESCOc1ccc(CCNC(=O)c2cccc(C=O)c2)cc1
InChIInChI=1S/C17H17NO3/c1-21-16-7-5-13(6-8-16)9-10-18-17(20)15-4-2-3-14(11-15)12-19/h2-8,11-12H,9-10H2,1H3,(H,18,20)
InChIKeyRSPJFSWHJHIPAT-UHFFFAOYSA-N
XLogP2.48
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.33
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-N-butyl-3-N-[2-(4-methoxyphenyl)ethyl]benzene-1,3-dicarboxamide
CID 109051097
N-[2-(4-methoxyphenyl)ethyl]-3-phenylbenzamide
CID 117087730
N-[2-(4-methoxyphenyl)ethyl]naphthalene-2-carboxamide
CID 1343397
N-[2-(4-methoxyphenyl)ethyl]-3-(pyridin-4-ylamino)benzamide
CID 117092507
1-N-[2-(4-fluorophenyl)ethyl]-3-N-(4-methoxyphenyl)benzene-1,3-dicarboxamide
CID 109055448
3-N-(4-fluorophenyl)-1-N-[2-(4-methoxyphenyl)ethyl]benzene-1,3-dicarboxamide
CID 109055517
N-[2-(4-methoxyphenyl)ethyl]-3-(pyridin-3-ylamino)benzamide
CID 117087950
N-[2-(4-methoxyphenyl)ethyl]-3-pyrazol-1-ylbenzamide
CID 110698153
1-N-[2-(4-methoxyphenyl)ethyl]-3-N-(pyridin-2-ylmethyl)benzene-1,3-dicarboxamide
CID 109054965
4-N-[2-(4-methoxyphenyl)ethyl]-1-N-propylbenzene-1,4-dicarboxamide
CID 109042916
N-[2-(4-methoxyphenyl)ethyl]-2-oxo-1,3-dihydrobenzimidazole-5-carboxamide
CID 110692315
3-methoxy-N-[2-(4-sulfamoylphenyl)ethyl]benzamide
CID 670722

Frequently Asked Questions

What is the IUPAC name of 3-formyl-N-[2-(4-methoxyphenyl)ethyl]benzamide?
The IUPAC name of 3-formyl-N-[2-(4-methoxyphenyl)ethyl]benzamide (CID 141386769) is 3-formyl-N-[2-(4-methoxyphenyl)ethyl]benzamide.
What is the SMILES notation for 3-formyl-N-[2-(4-methoxyphenyl)ethyl]benzamide?
The canonical SMILES for 3-formyl-N-[2-(4-methoxyphenyl)ethyl]benzamide is COc1ccc(CCNC(=O)c2cccc(C=O)c2)cc1.
What is the InChIKey of 3-formyl-N-[2-(4-methoxyphenyl)ethyl]benzamide?
The InChIKey is RSPJFSWHJHIPAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NO3/c1-21-16-7-5-13(6-8-16)9-10-18-17(20)15-4-2-3-14(11-15)12-19/h2-8,11-12H,9-10H2,1H3,(H,18,20).
What are the key properties of 3-formyl-N-[2-(4-methoxyphenyl)ethyl]benzamide?
3-formyl-N-[2-(4-methoxyphenyl)ethyl]benzamide has a molecular weight of 283.33 g/mol, XLogP of 2.48, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-formyl-N-[2-(4-methoxyphenyl)ethyl]benzamide is sourced from PubChem (CID 141386769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).