4-(3-acetylphenyl)-N-(2-propan-2-yloxyethyl)benzamide

C20H23NO3 — CID 118787053

IUPAC4-(3-acetylphenyl)-N-(2-propan-2-yloxyethyl)benzamide
SMILESCC(=O)c1cccc(-c2ccc(C(=O)NCCOC(C)C)cc2)c1
InChIInChI=1S/C20H23NO3/c1-14(2)24-12-11-21-20(23)17-9-7-16(8-10-17)19-6-4-5-18(13-19)15(3)22/h4-10,13-14H,11-12H2,1-3H3,(H,21,23)
InChIKeyVOWZFOLRAGUUOG-UHFFFAOYSA-N
MW325.41 g/mol
LogP3.71
Rot. Bonds7

About 4-(3-acetylphenyl)-N-(2-propan-2-yloxyethyl)benzamide

4-(3-acetylphenyl)-N-(2-propan-2-yloxyethyl)benzamide (PubChem CID 118787053) has the molecular formula C20H23NO3 and a molecular weight of 325.41 g/mol. Its IUPAC name is 4-(3-acetylphenyl)-N-(2-propan-2-yloxyethyl)benzamide.

Molecular Properties

Compound Name4-(3-acetylphenyl)-N-(2-propan-2-yloxyethyl)benzamide
PubChem CID118787053
Molecular FormulaC20H23NO3
Molecular Weight325.41 g/mol
Exact Mass325.17
IUPAC Name4-(3-acetylphenyl)-N-(2-propan-2-yloxyethyl)benzamide
SMILESCC(=O)c1cccc(-c2ccc(C(=O)NCCOC(C)C)cc2)c1
InChIInChI=1S/C20H23NO3/c1-14(2)24-12-11-21-20(23)17-9-7-16(8-10-17)19-6-4-5-18(13-19)15(3)22/h4-10,13-14H,11-12H2,1-3H3,(H,21,23)
InChIKeyVOWZFOLRAGUUOG-UHFFFAOYSA-N
XLogP3.71
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.41
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-(3-fluoro-4-hydroxyphenyl)-N-(2-propan-2-yloxyethyl)benzamide
CID 118785542
2-fluoro-5-[3-(2-propan-2-yloxyethylcarbamoyl)phenyl]benzamide
CID 122569346
4-(chloromethyl)-N-(2-propan-2-yloxyethyl)benzamide
CID 104759817
3,4-dichloro-N-(2-propan-2-yloxyethyl)benzamide
CID 110418217
4-methyl-N-(3-propan-2-yloxypropyl)benzamide
CID 58973544
3-(3-hydroxyprop-1-ynyl)-N-(2-propan-2-yloxyethyl)benzamide
CID 104764817
3-(carbamoylamino)-N-(3-propan-2-yloxypropyl)benzamide
CID 29209849
1-[3-(4-propan-2-ylphenyl)phenyl]ethanone
CID 61034135
4-bromo-3-methyl-N-(2-propan-2-yloxyethyl)benzamide
CID 104578560
3-methoxy-N-[2-[[4-(3-methoxyphenyl)benzoyl]amino]ethyl]benzamide
CID 134802561
5-[(3-acetylphenoxy)methyl]-N-(3-propan-2-yloxypropyl)-1,2-oxazole-3-carboxamide
CID 25366237
3-(propanoylamino)-N-(3-propan-2-yloxypropyl)benzamide
CID 17309759

Frequently Asked Questions

What is the IUPAC name of 4-(3-acetylphenyl)-N-(2-propan-2-yloxyethyl)benzamide?
The IUPAC name of 4-(3-acetylphenyl)-N-(2-propan-2-yloxyethyl)benzamide (CID 118787053) is 4-(3-acetylphenyl)-N-(2-propan-2-yloxyethyl)benzamide.
What is the SMILES notation for 4-(3-acetylphenyl)-N-(2-propan-2-yloxyethyl)benzamide?
The canonical SMILES for 4-(3-acetylphenyl)-N-(2-propan-2-yloxyethyl)benzamide is CC(=O)c1cccc(-c2ccc(C(=O)NCCOC(C)C)cc2)c1.
What is the InChIKey of 4-(3-acetylphenyl)-N-(2-propan-2-yloxyethyl)benzamide?
The InChIKey is VOWZFOLRAGUUOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23NO3/c1-14(2)24-12-11-21-20(23)17-9-7-16(8-10-17)19-6-4-5-18(13-19)15(3)22/h4-10,13-14H,11-12H2,1-3H3,(H,21,23).
What are the key properties of 4-(3-acetylphenyl)-N-(2-propan-2-yloxyethyl)benzamide?
4-(3-acetylphenyl)-N-(2-propan-2-yloxyethyl)benzamide has a molecular weight of 325.41 g/mol, XLogP of 3.71, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-acetylphenyl)-N-(2-propan-2-yloxyethyl)benzamide is sourced from PubChem (CID 118787053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).