N-[3-(2-methoxy-5-methylanilino)-3-oxopropyl]benzamide

C18H20N2O3 — CID 9098271

IUPACN-[3-(2-methoxy-5-methylanilino)-3-oxopropyl]benzamide
SMILESCOc1ccc(C)cc1NC(=O)CCNC(=O)c1ccccc1
InChIInChI=1S/C18H20N2O3/c1-13-8-9-16(23-2)15(12-13)20-17(21)10-11-19-18(22)14-6-4-3-5-7-14/h3-9,12H,10-11H2,1-2H3,(H,19,22)(H,20,21)
InChIKeyBGGZSFFRYDMLAF-UHFFFAOYSA-N
MW312.37 g/mol
LogP2.76
Rot. Bonds6

About N-[3-(2-methoxy-5-methylanilino)-3-oxopropyl]benzamide

N-[3-(2-methoxy-5-methylanilino)-3-oxopropyl]benzamide (PubChem CID 9098271) has the molecular formula C18H20N2O3 and a molecular weight of 312.37 g/mol. Its IUPAC name is N-[3-(2-methoxy-5-methylanilino)-3-oxopropyl]benzamide.

Molecular Properties

Compound NameN-[3-(2-methoxy-5-methylanilino)-3-oxopropyl]benzamide
PubChem CID9098271
Molecular FormulaC18H20N2O3
Molecular Weight312.37 g/mol
Exact Mass312.15
IUPAC NameN-[3-(2-methoxy-5-methylanilino)-3-oxopropyl]benzamide
SMILESCOc1ccc(C)cc1NC(=O)CCNC(=O)c1ccccc1
InChIInChI=1S/C18H20N2O3/c1-13-8-9-16(23-2)15(12-13)20-17(21)10-11-19-18(22)14-6-4-3-5-7-14/h3-9,12H,10-11H2,1-2H3,(H,19,22)(H,20,21)
InChIKeyBGGZSFFRYDMLAF-UHFFFAOYSA-N
XLogP2.76
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 ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(2-methoxy-5-methylanilino)-2-oxoethyl]benzamide
CID 9215526
N-[3-(5-chloro-2-methoxyanilino)-3-oxopropyl]benzamide
CID 8763306
N-[3-(2-methoxy-5-methylanilino)-3-oxopropyl]-2-methylpropanamide
CID 50875904
N-[3-(2,5-dimethylanilino)-3-oxopropyl]-2-methoxybenzamide
CID 26500169
N-[4-(5-chloro-2-methoxyanilino)-4-oxobutyl]benzamide
CID 39753632
N-[2-(2-methoxy-5-methylanilino)-2-oxoethyl]-4-(phenylcarbamoylamino)benzamide
CID 46551082
N-(2-methoxy-5-methylphenyl)-3-(2-methylanilino)propanamide
CID 51159592
N,N'-bis(2-methoxy-5-methylphenyl)pentanediamide
CID 5142107
1-N-(2-methoxyethyl)-4-N-(2-methoxy-5-methylphenyl)benzene-1,4-dicarboxamide
CID 109045188
N-[4-(2-methoxyanilino)-4-oxobutyl]benzamide
CID 29371184
4-methoxy-N-[2-[(2-methoxy-5-methylphenyl)carbamoylamino]ethyl]benzamide
CID 51118545
1-N-benzyl-4-N-(2-methoxy-5-methylphenyl)benzene-1,4-dicarboxamide
CID 109046739

Frequently Asked Questions

What is the IUPAC name of N-[3-(2-methoxy-5-methylanilino)-3-oxopropyl]benzamide?
The IUPAC name of N-[3-(2-methoxy-5-methylanilino)-3-oxopropyl]benzamide (CID 9098271) is N-[3-(2-methoxy-5-methylanilino)-3-oxopropyl]benzamide.
What is the SMILES notation for N-[3-(2-methoxy-5-methylanilino)-3-oxopropyl]benzamide?
The canonical SMILES for N-[3-(2-methoxy-5-methylanilino)-3-oxopropyl]benzamide is COc1ccc(C)cc1NC(=O)CCNC(=O)c1ccccc1.
What is the InChIKey of N-[3-(2-methoxy-5-methylanilino)-3-oxopropyl]benzamide?
The InChIKey is BGGZSFFRYDMLAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O3/c1-13-8-9-16(23-2)15(12-13)20-17(21)10-11-19-18(22)14-6-4-3-5-7-14/h3-9,12H,10-11H2,1-2H3,(H,19,22)(H,20,21).
What are the key properties of N-[3-(2-methoxy-5-methylanilino)-3-oxopropyl]benzamide?
N-[3-(2-methoxy-5-methylanilino)-3-oxopropyl]benzamide has a molecular weight of 312.37 g/mol, XLogP of 2.76, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-methoxy-5-methylanilino)-3-oxopropyl]benzamide is sourced from PubChem (CID 9098271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).