N-(4-acetamidobutyl)-2-methoxy-5-phenylbenzamide

C20H24N2O3 — CID 110609817

IUPACN-(4-acetamidobutyl)-2-methoxy-5-phenylbenzamide
SMILESCOc1ccc(-c2ccccc2)cc1C(=O)NCCCCNC(C)=O
InChIInChI=1S/C20H24N2O3/c1-15(23)21-12-6-7-13-22-20(24)18-14-17(10-11-19(18)25-2)16-8-4-3-5-9-16/h3-5,8-11,14H,6-7,12-13H2,1-2H3,(H,21,23)(H,22,24)
InChIKeyOUAYWGKQZYJTPV-UHFFFAOYSA-N
MW340.42 g/mol
LogP3.01
Rot. Bonds8

About N-(4-acetamidobutyl)-2-methoxy-5-phenylbenzamide

N-(4-acetamidobutyl)-2-methoxy-5-phenylbenzamide (PubChem CID 110609817) has the molecular formula C20H24N2O3 and a molecular weight of 340.42 g/mol. Its IUPAC name is N-(4-acetamidobutyl)-2-methoxy-5-phenylbenzamide.

Molecular Properties

Compound NameN-(4-acetamidobutyl)-2-methoxy-5-phenylbenzamide
PubChem CID110609817
Molecular FormulaC20H24N2O3
Molecular Weight340.42 g/mol
Exact Mass340.18
IUPAC NameN-(4-acetamidobutyl)-2-methoxy-5-phenylbenzamide
SMILESCOc1ccc(-c2ccccc2)cc1C(=O)NCCCCNC(C)=O
InChIInChI=1S/C20H24N2O3/c1-15(23)21-12-6-7-13-22-20(24)18-14-17(10-11-19(18)25-2)16-8-4-3-5-9-16/h3-5,8-11,14H,6-7,12-13H2,1-2H3,(H,21,23)(H,22,24)
InChIKeyOUAYWGKQZYJTPV-UHFFFAOYSA-N
XLogP3.01
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.42
LogP ≤ 53.01
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-(3-acetamidopropyl)-2-methoxy-5-phenylbenzamide
CID 110630734
N-[2-(dimethylamino)ethyl]-2-methoxy-5-phenylbenzamide
CID 110408034
[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
2,5-dimethoxy-N-(4-phenoxybutyl)benzamide
CID 18120226
N-(3-acetamidopropyl)-4-phenylbenzamide
CID 38450168
N-(2-acetamidoethyl)-5-tert-butyl-2-methoxybenzamide
CID 110761334
5-bromo-N-[8-[(5-bromo-2-methoxybenzoyl)amino]octyl]-2-methoxybenzamide
CID 17233433
2-methoxy-N-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-5-phenylbenzamide
CID 110605924
N-(4-bromobutyl)-2-methoxy-5-methylbenzamide
CID 106846001
N-(4-hydroxybutyl)-2,5-dimethoxybenzamide
CID 106843793

Frequently Asked Questions

What is the IUPAC name of N-(4-acetamidobutyl)-2-methoxy-5-phenylbenzamide?
The IUPAC name of N-(4-acetamidobutyl)-2-methoxy-5-phenylbenzamide (CID 110609817) is N-(4-acetamidobutyl)-2-methoxy-5-phenylbenzamide.
What is the SMILES notation for N-(4-acetamidobutyl)-2-methoxy-5-phenylbenzamide?
The canonical SMILES for N-(4-acetamidobutyl)-2-methoxy-5-phenylbenzamide is COc1ccc(-c2ccccc2)cc1C(=O)NCCCCNC(C)=O.
What is the InChIKey of N-(4-acetamidobutyl)-2-methoxy-5-phenylbenzamide?
The InChIKey is OUAYWGKQZYJTPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O3/c1-15(23)21-12-6-7-13-22-20(24)18-14-17(10-11-19(18)25-2)16-8-4-3-5-9-16/h3-5,8-11,14H,6-7,12-13H2,1-2H3,(H,21,23)(H,22,24).
What are the key properties of N-(4-acetamidobutyl)-2-methoxy-5-phenylbenzamide?
N-(4-acetamidobutyl)-2-methoxy-5-phenylbenzamide has a molecular weight of 340.42 g/mol, XLogP of 3.01, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetamidobutyl)-2-methoxy-5-phenylbenzamide is sourced from PubChem (CID 110609817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).