N-[4-(2-methoxyanilino)-4-oxobutyl]benzamide

C18H20N2O3 — CID 29371184

IUPACN-[4-(2-methoxyanilino)-4-oxobutyl]benzamide
SMILESCOc1ccccc1NC(=O)CCCNC(=O)c1ccccc1
InChIInChI=1S/C18H20N2O3/c1-23-16-11-6-5-10-15(16)20-17(21)12-7-13-19-18(22)14-8-3-2-4-9-14/h2-6,8-11H,7,12-13H2,1H3,(H,19,22)(H,20,21)
InChIKeyLTSOCIHGEFWZSG-UHFFFAOYSA-N
MW312.37 g/mol
LogP2.84
Rot. Bonds7

About N-[4-(2-methoxyanilino)-4-oxobutyl]benzamide

N-[4-(2-methoxyanilino)-4-oxobutyl]benzamide (PubChem CID 29371184) has the molecular formula C18H20N2O3 and a molecular weight of 312.37 g/mol. Its IUPAC name is N-[4-(2-methoxyanilino)-4-oxobutyl]benzamide.

Molecular Properties

Compound NameN-[4-(2-methoxyanilino)-4-oxobutyl]benzamide
PubChem CID29371184
Molecular FormulaC18H20N2O3
Molecular Weight312.37 g/mol
Exact Mass312.15
IUPAC NameN-[4-(2-methoxyanilino)-4-oxobutyl]benzamide
SMILESCOc1ccccc1NC(=O)CCCNC(=O)c1ccccc1
InChIInChI=1S/C18H20N2O3/c1-23-16-11-6-5-10-15(16)20-17(21)12-7-13-19-18(22)14-8-3-2-4-9-14/h2-6,8-11H,7,12-13H2,1H3,(H,19,22)(H,20,21)
InChIKeyLTSOCIHGEFWZSG-UHFFFAOYSA-N
XLogP2.84
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.37
LogP ≤ 52.84
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-(5-chloro-2-methoxyanilino)-4-oxobutyl]benzamide
CID 39753632
3,5-dimethoxy-N-[3-(2-methoxyanilino)-3-oxopropyl]benzamide
CID 17191665
N-[3-(2-methoxy-5-methylanilino)-3-oxopropyl]benzamide
CID 9098271
1-N-[3-(dimethylamino)propyl]-4-N-(2-methoxyphenyl)benzene-1,4-dicarboxamide
CID 109046031
N-[3-(5-chloro-2-methoxyanilino)-3-oxopropyl]benzamide
CID 8763306
4-[[2-(2-methoxyanilino)-2-oxoethyl]amino]-N-(3-methoxypropyl)benzamide
CID 54835567
N-[4-[[2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]amino]-4-oxobutyl]benzamide
CID 55364516
N-[6-[(2-methoxyphenyl)methylamino]-6-oxohexyl]benzamide
CID 110838952
N-(2-methoxyphenyl)-3-(methylamino)propanamide
CID 54773589
N-(2-methoxyphenyl)-3-oxo-3-phenylpropanamide
CID 7079
N-[5-(2-aminoanilino)-5-oxopentyl]benzamide
CID 155547009
N-[4-(4-benzamidobutanoylamino)-2-methoxyphenyl]pyridine-3-carboxamide
CID 33492420

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-methoxyanilino)-4-oxobutyl]benzamide?
The IUPAC name of N-[4-(2-methoxyanilino)-4-oxobutyl]benzamide (CID 29371184) is N-[4-(2-methoxyanilino)-4-oxobutyl]benzamide.
What is the SMILES notation for N-[4-(2-methoxyanilino)-4-oxobutyl]benzamide?
The canonical SMILES for N-[4-(2-methoxyanilino)-4-oxobutyl]benzamide is COc1ccccc1NC(=O)CCCNC(=O)c1ccccc1.
What is the InChIKey of N-[4-(2-methoxyanilino)-4-oxobutyl]benzamide?
The InChIKey is LTSOCIHGEFWZSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O3/c1-23-16-11-6-5-10-15(16)20-17(21)12-7-13-19-18(22)14-8-3-2-4-9-14/h2-6,8-11H,7,12-13H2,1H3,(H,19,22)(H,20,21).
What are the key properties of N-[4-(2-methoxyanilino)-4-oxobutyl]benzamide?
N-[4-(2-methoxyanilino)-4-oxobutyl]benzamide has a molecular weight of 312.37 g/mol, XLogP of 2.84, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-methoxyanilino)-4-oxobutyl]benzamide is sourced from PubChem (CID 29371184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).