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

C18H20N2O3 — CID 17226085

IUPAC3-methoxy-N-[3-(3-methylanilino)-3-oxopropyl]benzamide
SMILESCOc1cccc(C(=O)NCCC(=O)Nc2cccc(C)c2)c1
InChIInChI=1S/C18H20N2O3/c1-13-5-3-7-15(11-13)20-17(21)9-10-19-18(22)14-6-4-8-16(12-14)23-2/h3-8,11-12H,9-10H2,1-2H3,(H,19,22)(H,20,21)
InChIKeyQWWUZGYCPWOGTB-UHFFFAOYSA-N
MW312.37 g/mol
LogP2.76
Rot. Bonds6

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

3-methoxy-N-[3-(3-methylanilino)-3-oxopropyl]benzamide (PubChem CID 17226085) has the molecular formula C18H20N2O3 and a molecular weight of 312.37 g/mol. Its IUPAC name is 3-methoxy-N-[3-(3-methylanilino)-3-oxopropyl]benzamide.

Molecular Properties

Compound Name3-methoxy-N-[3-(3-methylanilino)-3-oxopropyl]benzamide
PubChem CID17226085
Molecular FormulaC18H20N2O3
Molecular Weight312.37 g/mol
Exact Mass312.15
IUPAC Name3-methoxy-N-[3-(3-methylanilino)-3-oxopropyl]benzamide
SMILESCOc1cccc(C(=O)NCCC(=O)Nc2cccc(C)c2)c1
InChIInChI=1S/C18H20N2O3/c1-13-5-3-7-15(11-13)20-17(21)9-10-19-18(22)14-6-4-8-16(12-14)23-2/h3-8,11-12H,9-10H2,1-2H3,(H,19,22)(H,20,21)
InChIKeyQWWUZGYCPWOGTB-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

ethyl 3-[3-[(3-methoxybenzoyl)amino]propanoylamino]benzoate
CID 17226184
3-methoxy-N-[3-oxo-3-(pyridin-4-ylamino)propyl]benzamide
CID 17226091
N-[2-(3-methoxyanilino)-2-oxoethyl]-3-methylbenzamide
CID 4679398
N-[3-(4-fluoroanilino)-3-oxopropyl]-3-methoxybenzamide
CID 17226080
N-[3-(3-chloro-4-fluoroanilino)-3-oxopropyl]-3-methoxybenzamide
CID 17226122
N-(3-anilino-3-oxopropyl)-3,5-dimethoxybenzamide
CID 17191598
N-[2-[(3-bromo-4-methylphenyl)carbamoylamino]ethyl]-3-methoxybenzamide
CID 78874679
N-[3-(4-ethoxyanilino)-3-oxopropyl]-3-methylbenzamide
CID 17191376
3-methoxy-N-[(3-methylphenyl)carbamothioyl]benzamide
CID 882848
3-methoxy-N-[3-[4-(6-methyl-1,3-benzothiazol-2-yl)anilino]-3-oxopropyl]benzamide
CID 17226192
2-[3-[(3-methoxybenzoyl)amino]propanoylamino]benzamide
CID 17226172
3-methoxy-N-[3-(3-methylphenoxy)propyl]benzamide
CID 24533352

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-N-[3-(3-methylanilino)-3-oxopropyl]benzamide?
The IUPAC name of 3-methoxy-N-[3-(3-methylanilino)-3-oxopropyl]benzamide (CID 17226085) is 3-methoxy-N-[3-(3-methylanilino)-3-oxopropyl]benzamide.
What is the SMILES notation for 3-methoxy-N-[3-(3-methylanilino)-3-oxopropyl]benzamide?
The canonical SMILES for 3-methoxy-N-[3-(3-methylanilino)-3-oxopropyl]benzamide is COc1cccc(C(=O)NCCC(=O)Nc2cccc(C)c2)c1.
What is the InChIKey of 3-methoxy-N-[3-(3-methylanilino)-3-oxopropyl]benzamide?
The InChIKey is QWWUZGYCPWOGTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O3/c1-13-5-3-7-15(11-13)20-17(21)9-10-19-18(22)14-6-4-8-16(12-14)23-2/h3-8,11-12H,9-10H2,1-2H3,(H,19,22)(H,20,21).
What are the key properties of 3-methoxy-N-[3-(3-methylanilino)-3-oxopropyl]benzamide?
3-methoxy-N-[3-(3-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 3-methoxy-N-[3-(3-methylanilino)-3-oxopropyl]benzamide is sourced from PubChem (CID 17226085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).