4-methoxy-N-[3-methyl-1-oxo-1-[(2-oxopiperidin-1-yl)amino]butan-2-yl]benzamide

C18H25N3O4 — CID 47092664

IUPAC4-methoxy-N-[3-methyl-1-oxo-1-[(2-oxopiperidin-1-yl)amino]butan-2-yl]benzamide
SMILESCOc1ccc(C(=O)NC(C(=O)NN2CCCCC2=O)C(C)C)cc1
InChIInChI=1S/C18H25N3O4/c1-12(2)16(18(24)20-21-11-5-4-6-15(21)22)19-17(23)13-7-9-14(25-3)10-8-13/h7-10,12,16H,4-6,11H2,1-3H3,(H,19,23)(H,20,24)
InChIKeySVDKTMKIUIAYQW-UHFFFAOYSA-N
MW347.42 g/mol
LogP1.49
Rot. Bonds6

About 4-methoxy-N-[3-methyl-1-oxo-1-[(2-oxopiperidin-1-yl)amino]butan-2-yl]benzamide

4-methoxy-N-[3-methyl-1-oxo-1-[(2-oxopiperidin-1-yl)amino]butan-2-yl]benzamide (PubChem CID 47092664) has the molecular formula C18H25N3O4 and a molecular weight of 347.42 g/mol. Its IUPAC name is 4-methoxy-N-[3-methyl-1-oxo-1-[(2-oxopiperidin-1-yl)amino]butan-2-yl]benzamide.

Molecular Properties

Compound Name4-methoxy-N-[3-methyl-1-oxo-1-[(2-oxopiperidin-1-yl)amino]butan-2-yl]benzamide
PubChem CID47092664
Molecular FormulaC18H25N3O4
Molecular Weight347.42 g/mol
Exact Mass347.18
IUPAC Name4-methoxy-N-[3-methyl-1-oxo-1-[(2-oxopiperidin-1-yl)amino]butan-2-yl]benzamide
SMILESCOc1ccc(C(=O)NC(C(=O)NN2CCCCC2=O)C(C)C)cc1
InChIInChI=1S/C18H25N3O4/c1-12(2)16(18(24)20-21-11-5-4-6-15(21)22)19-17(23)13-7-9-14(25-3)10-8-13/h7-10,12,16H,4-6,11H2,1-3H3,(H,19,23)(H,20,24)
InChIKeySVDKTMKIUIAYQW-UHFFFAOYSA-N
XLogP1.49
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.42
LogP ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-methoxy-N-[(2S)-3-methyl-1-oxo-1-piperidin-1-ylbutan-2-yl]benzamide
CID 7997539
4-methoxy-N-[3-methyl-1-oxo-1-[4-(pyrrolidine-1-carbonyl)anilino]butan-2-yl]benzamide
CID 46535547
4-methoxy-N-[1-[(4-methoxyphenyl)methylamino]-3-methyl-1-oxobutan-2-yl]benzamide
CID 51159134
4-methoxy-N-[1-[2-(4-methoxyphenyl)ethylamino]-3-methyl-1-oxobutan-2-yl]benzamide
CID 51157879
4-[[2-[(4-methoxybenzoyl)amino]-3-methylbutanoyl]amino]-N-(4-methoxyphenyl)benzamide
CID 55342319
4-ethoxy-N-[1-[4-methoxy-3-(2-oxopiperidin-1-yl)anilino]-3-methyl-1-oxobutan-2-yl]benzamide
CID 55692148
N-[1-(4-chloro-3-pyrrolidin-1-ylsulfonylanilino)-3-methyl-1-oxobutan-2-yl]-4-methoxybenzamide
CID 55329184
[(1R)-2-oxocyclohexyl] (2S)-2-[(4-methoxybenzoyl)amino]-3-methylbutanoate
CID 7568305
4-methoxy-N-[3-methyl-1-[3-(2-methylpiperidin-1-yl)propylamino]-1-oxobutan-2-yl]benzamide
CID 51221501
4-methoxy-N-[(2S)-1-[[(2S)-2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]amino]-3-methyl-1-oxobutan-2-yl]benzamide
CID 25478879
N-[1-[3-(4-ethylpiperazin-1-yl)propylamino]-3-methyl-1-oxobutan-2-yl]-4-methoxybenzamide
CID 55660238
N-[1-(butylamino)-3-methyl-1-oxobutan-2-yl]-4-methoxybenzamide
CID 3944138

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-[3-methyl-1-oxo-1-[(2-oxopiperidin-1-yl)amino]butan-2-yl]benzamide?
The IUPAC name of 4-methoxy-N-[3-methyl-1-oxo-1-[(2-oxopiperidin-1-yl)amino]butan-2-yl]benzamide (CID 47092664) is 4-methoxy-N-[3-methyl-1-oxo-1-[(2-oxopiperidin-1-yl)amino]butan-2-yl]benzamide.
What is the SMILES notation for 4-methoxy-N-[3-methyl-1-oxo-1-[(2-oxopiperidin-1-yl)amino]butan-2-yl]benzamide?
The canonical SMILES for 4-methoxy-N-[3-methyl-1-oxo-1-[(2-oxopiperidin-1-yl)amino]butan-2-yl]benzamide is COc1ccc(C(=O)NC(C(=O)NN2CCCCC2=O)C(C)C)cc1.
What is the InChIKey of 4-methoxy-N-[3-methyl-1-oxo-1-[(2-oxopiperidin-1-yl)amino]butan-2-yl]benzamide?
The InChIKey is SVDKTMKIUIAYQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O4/c1-12(2)16(18(24)20-21-11-5-4-6-15(21)22)19-17(23)13-7-9-14(25-3)10-8-13/h7-10,12,16H,4-6,11H2,1-3H3,(H,19,23)(H,20,24).
What are the key properties of 4-methoxy-N-[3-methyl-1-oxo-1-[(2-oxopiperidin-1-yl)amino]butan-2-yl]benzamide?
4-methoxy-N-[3-methyl-1-oxo-1-[(2-oxopiperidin-1-yl)amino]butan-2-yl]benzamide has a molecular weight of 347.42 g/mol, XLogP of 1.49, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-[3-methyl-1-oxo-1-[(2-oxopiperidin-1-yl)amino]butan-2-yl]benzamide is sourced from PubChem (CID 47092664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).