N-[2-[(4-methoxybenzoyl)amino]ethyl]-3-methylbenzamide

C18H20N2O3 — CID 108537853

IUPACN-[2-[(4-methoxybenzoyl)amino]ethyl]-3-methylbenzamide
SMILESCOc1ccc(C(=O)NCCNC(=O)c2cccc(C)c2)cc1
InChIInChI=1S/C18H20N2O3/c1-13-4-3-5-15(12-13)18(22)20-11-10-19-17(21)14-6-8-16(23-2)9-7-14/h3-9,12H,10-11H2,1-2H3,(H,19,21)(H,20,22)
InChIKeyHQXUWDGMDBUABV-UHFFFAOYSA-N
MW312.37 g/mol
LogP2.16
Rot. Bonds6

About N-[2-[(4-methoxybenzoyl)amino]ethyl]-3-methylbenzamide

N-[2-[(4-methoxybenzoyl)amino]ethyl]-3-methylbenzamide (PubChem CID 108537853) has the molecular formula C18H20N2O3 and a molecular weight of 312.37 g/mol. Its IUPAC name is N-[2-[(4-methoxybenzoyl)amino]ethyl]-3-methylbenzamide.

Molecular Properties

Compound NameN-[2-[(4-methoxybenzoyl)amino]ethyl]-3-methylbenzamide
PubChem CID108537853
Molecular FormulaC18H20N2O3
Molecular Weight312.37 g/mol
Exact Mass312.15
IUPAC NameN-[2-[(4-methoxybenzoyl)amino]ethyl]-3-methylbenzamide
SMILESCOc1ccc(C(=O)NCCNC(=O)c2cccc(C)c2)cc1
InChIInChI=1S/C18H20N2O3/c1-13-4-3-5-15(12-13)18(22)20-11-10-19-17(21)14-6-8-16(23-2)9-7-14/h3-9,12H,10-11H2,1-2H3,(H,19,21)(H,20,22)
InChIKeyHQXUWDGMDBUABV-UHFFFAOYSA-N
XLogP2.16
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.37
LogP ≤ 52.16
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-[2-[(4-methoxybenzoyl)amino]ethyl]-4-methylbenzamide
CID 108537787
N-[2-(4-methoxyphenyl)-2-methylpropyl]-3-methylbenzamide
CID 113090429
3-methyl-N-[2-[(4-propan-2-ylbenzoyl)amino]ethyl]benzamide
CID 108573755
N-[2-[(3-methoxybenzoyl)amino]ethyl]-3,4-dimethylbenzamide
CID 108539237
N-(2-acetamidoethyl)-4-methoxybenzamide
CID 30596623
3-methoxy-N-[2-[(4-phenylbenzoyl)amino]ethyl]benzamide
CID 40718395
3-methoxy-N-[2-[[4-(3-methoxyphenyl)benzoyl]amino]ethyl]benzamide
CID 134802561
N-[(2,5-dimethoxyphenyl)methyl]-3-methylbenzamide
CID 33097699
N-[1-(4-methoxyphenyl)propylideneamino]-3-methylbenzamide
CID 840640
3-methoxy-N-[3-(3-methylphenoxy)propyl]benzamide
CID 24533352
N-[2-[2-(4-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]ethyl]-3-methylbenzamide
CID 110641185
4-[[[2-(4-methoxyphenyl)acetyl]amino]methyl]-N-[2-(3-methylphenyl)ethyl]benzamide
CID 86875243

Frequently Asked Questions

What is the IUPAC name of N-[2-[(4-methoxybenzoyl)amino]ethyl]-3-methylbenzamide?
The IUPAC name of N-[2-[(4-methoxybenzoyl)amino]ethyl]-3-methylbenzamide (CID 108537853) is N-[2-[(4-methoxybenzoyl)amino]ethyl]-3-methylbenzamide.
What is the SMILES notation for N-[2-[(4-methoxybenzoyl)amino]ethyl]-3-methylbenzamide?
The canonical SMILES for N-[2-[(4-methoxybenzoyl)amino]ethyl]-3-methylbenzamide is COc1ccc(C(=O)NCCNC(=O)c2cccc(C)c2)cc1.
What is the InChIKey of N-[2-[(4-methoxybenzoyl)amino]ethyl]-3-methylbenzamide?
The InChIKey is HQXUWDGMDBUABV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O3/c1-13-4-3-5-15(12-13)18(22)20-11-10-19-17(21)14-6-8-16(23-2)9-7-14/h3-9,12H,10-11H2,1-2H3,(H,19,21)(H,20,22).
What are the key properties of N-[2-[(4-methoxybenzoyl)amino]ethyl]-3-methylbenzamide?
N-[2-[(4-methoxybenzoyl)amino]ethyl]-3-methylbenzamide has a molecular weight of 312.37 g/mol, XLogP of 2.16, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(4-methoxybenzoyl)amino]ethyl]-3-methylbenzamide is sourced from PubChem (CID 108537853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).