N-(3-acetamidopropyl)-2-methoxy-5-phenylbenzamide

C19H22N2O3 — CID 110630734

IUPACN-(3-acetamidopropyl)-2-methoxy-5-phenylbenzamide
SMILESCOc1ccc(-c2ccccc2)cc1C(=O)NCCCNC(C)=O
InChIInChI=1S/C19H22N2O3/c1-14(22)20-11-6-12-21-19(23)17-13-16(9-10-18(17)24-2)15-7-4-3-5-8-15/h3-5,7-10,13H,6,11-12H2,1-2H3,(H,20,22)(H,21,23)
InChIKeyZYPLXLJZXGBMJZ-UHFFFAOYSA-N
MW326.40 g/mol
LogP2.62
Rot. Bonds7

About N-(3-acetamidopropyl)-2-methoxy-5-phenylbenzamide

N-(3-acetamidopropyl)-2-methoxy-5-phenylbenzamide (PubChem CID 110630734) has the molecular formula C19H22N2O3 and a molecular weight of 326.40 g/mol. Its IUPAC name is N-(3-acetamidopropyl)-2-methoxy-5-phenylbenzamide.

Molecular Properties

Compound NameN-(3-acetamidopropyl)-2-methoxy-5-phenylbenzamide
PubChem CID110630734
Molecular FormulaC19H22N2O3
Molecular Weight326.40 g/mol
Exact Mass326.16
IUPAC NameN-(3-acetamidopropyl)-2-methoxy-5-phenylbenzamide
SMILESCOc1ccc(-c2ccccc2)cc1C(=O)NCCCNC(C)=O
InChIInChI=1S/C19H22N2O3/c1-14(22)20-11-6-12-21-19(23)17-13-16(9-10-18(17)24-2)15-7-4-3-5-8-15/h3-5,7-10,13H,6,11-12H2,1-2H3,(H,20,22)(H,21,23)
InChIKeyZYPLXLJZXGBMJZ-UHFFFAOYSA-N
XLogP2.62
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(4-acetamidobutyl)-2-methoxy-5-phenylbenzamide
CID 110609817
N-[2-(dimethylamino)ethyl]-2-methoxy-5-phenylbenzamide
CID 110408034
N-(3-acetamidopropyl)-4-phenylbenzamide
CID 38450168
[2-(octadecylcarbamoyl)-4-phenylphenyl] hypoiodite
CID 174323115
2-methoxy-5-phenyl-N-(pyridin-4-ylmethyl)benzamide
CID 110410764
N-cyclopropyl-2-methoxy-5-phenylbenzamide
CID 110406431
N-(2-acetamidoethyl)-5-tert-butyl-2-methoxybenzamide
CID 110761334
2-methoxy-N-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-5-phenylbenzamide
CID 110605924
2,5-dimethoxy-N-(4-phenoxybutyl)benzamide
CID 18120226
5-bromo-N-[8-[(5-bromo-2-methoxybenzoyl)amino]octyl]-2-methoxybenzamide
CID 17233433
5-chloro-N-[3-(2-chlorophenyl)propyl]-2-methoxybenzamide
CID 100529406
N-(2-acetamidoethyl)-4-methoxy-2,3-dimethylbenzamide
CID 110763188

Frequently Asked Questions

What is the IUPAC name of N-(3-acetamidopropyl)-2-methoxy-5-phenylbenzamide?
The IUPAC name of N-(3-acetamidopropyl)-2-methoxy-5-phenylbenzamide (CID 110630734) is N-(3-acetamidopropyl)-2-methoxy-5-phenylbenzamide.
What is the SMILES notation for N-(3-acetamidopropyl)-2-methoxy-5-phenylbenzamide?
The canonical SMILES for N-(3-acetamidopropyl)-2-methoxy-5-phenylbenzamide is COc1ccc(-c2ccccc2)cc1C(=O)NCCCNC(C)=O.
What is the InChIKey of N-(3-acetamidopropyl)-2-methoxy-5-phenylbenzamide?
The InChIKey is ZYPLXLJZXGBMJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O3/c1-14(22)20-11-6-12-21-19(23)17-13-16(9-10-18(17)24-2)15-7-4-3-5-8-15/h3-5,7-10,13H,6,11-12H2,1-2H3,(H,20,22)(H,21,23).
What are the key properties of N-(3-acetamidopropyl)-2-methoxy-5-phenylbenzamide?
N-(3-acetamidopropyl)-2-methoxy-5-phenylbenzamide has a molecular weight of 326.40 g/mol, XLogP of 2.62, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-acetamidopropyl)-2-methoxy-5-phenylbenzamide is sourced from PubChem (CID 110630734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).