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

C18H20N2O3 — CID 108537787

IUPACN-[2-[(4-methoxybenzoyl)amino]ethyl]-4-methylbenzamide
SMILESCOc1ccc(C(=O)NCCNC(=O)c2ccc(C)cc2)cc1
InChIInChI=1S/C18H20N2O3/c1-13-3-5-14(6-4-13)17(21)19-11-12-20-18(22)15-7-9-16(23-2)10-8-15/h3-10H,11-12H2,1-2H3,(H,19,21)(H,20,22)
InChIKeyBYEHAGLDVLOJPH-UHFFFAOYSA-N
MW312.37 g/mol
LogP2.16
Rot. Bonds6

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

N-[2-[(4-methoxybenzoyl)amino]ethyl]-4-methylbenzamide (PubChem CID 108537787) has the molecular formula C18H20N2O3 and a molecular weight of 312.37 g/mol. Its IUPAC name is N-[2-[(4-methoxybenzoyl)amino]ethyl]-4-methylbenzamide.

Molecular Properties

Compound NameN-[2-[(4-methoxybenzoyl)amino]ethyl]-4-methylbenzamide
PubChem CID108537787
Molecular FormulaC18H20N2O3
Molecular Weight312.37 g/mol
Exact Mass312.15
IUPAC NameN-[2-[(4-methoxybenzoyl)amino]ethyl]-4-methylbenzamide
SMILESCOc1ccc(C(=O)NCCNC(=O)c2ccc(C)cc2)cc1
InChIInChI=1S/C18H20N2O3/c1-13-3-5-14(6-4-13)17(21)19-11-12-20-18(22)15-7-9-16(23-2)10-8-15/h3-10H,11-12H2,1-2H3,(H,19,21)(H,20,22)
InChIKeyBYEHAGLDVLOJPH-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

4-methoxy-N-[2-[[2-(4-methylphenoxy)acetyl]amino]ethyl]benzamide
CID 108537866
N-(2-acetamidoethyl)-4-methoxybenzamide
CID 30596623
N-[2-[(4-methoxybenzoyl)amino]ethyl]-3-methylbenzamide
CID 108537853
4-methyl-N-[2-(methylamino)ethyl]benzamide
CID 59535801
4-methoxy-N-[2-[(2,2,2-trifluoroacetyl)amino]ethyl]benzamide
CID 108537590
tert-butyl N-[2-[(4-methoxybenzoyl)amino]ethyl]carbamate
CID 71505026
N-[2-hydroxy-2-(4-methoxyphenyl)ethyl]-4-methylbenzamide
CID 110889479
4-methoxy-N-[2-[(2-methoxy-5-methylphenyl)carbamoylamino]ethyl]benzamide
CID 51118545
N-(2-acetamidoethyl)-4-methylbenzamide
CID 4186573
2-[(4-methoxybenzoyl)amino]ethyl-dimethylazanium
CID 7458489
4-methoxy-N-(4-methoxybutyl)benzamide
CID 110417955
4-methoxy-N-pentylbenzamide
CID 3113360

Frequently Asked Questions

What is the IUPAC name of N-[2-[(4-methoxybenzoyl)amino]ethyl]-4-methylbenzamide?
The IUPAC name of N-[2-[(4-methoxybenzoyl)amino]ethyl]-4-methylbenzamide (CID 108537787) is N-[2-[(4-methoxybenzoyl)amino]ethyl]-4-methylbenzamide.
What is the SMILES notation for N-[2-[(4-methoxybenzoyl)amino]ethyl]-4-methylbenzamide?
The canonical SMILES for N-[2-[(4-methoxybenzoyl)amino]ethyl]-4-methylbenzamide is COc1ccc(C(=O)NCCNC(=O)c2ccc(C)cc2)cc1.
What is the InChIKey of N-[2-[(4-methoxybenzoyl)amino]ethyl]-4-methylbenzamide?
The InChIKey is BYEHAGLDVLOJPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O3/c1-13-3-5-14(6-4-13)17(21)19-11-12-20-18(22)15-7-9-16(23-2)10-8-15/h3-10H,11-12H2,1-2H3,(H,19,21)(H,20,22).
What are the key properties of N-[2-[(4-methoxybenzoyl)amino]ethyl]-4-methylbenzamide?
N-[2-[(4-methoxybenzoyl)amino]ethyl]-4-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]-4-methylbenzamide is sourced from PubChem (CID 108537787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).