4-methoxy-N-[(2S)-1-[(2-methoxyphenyl)methylamino]-3-methyl-1-oxobutan-2-yl]benzamide

C21H26N2O4 — CID 2713277

IUPAC4-methoxy-N-[(2S)-1-[(2-methoxyphenyl)methylamino]-3-methyl-1-oxobutan-2-yl]benzamide
SMILESCOc1ccc(C(=O)N[C@H](C(=O)NCc2ccccc2OC)C(C)C)cc1
InChIInChI=1S/C21H26N2O4/c1-14(2)19(23-20(24)15-9-11-17(26-3)12-10-15)21(25)22-13-16-7-5-6-8-18(16)27-4/h5-12,14,19H,13H2,1-4H3,(H,22,25)(H,23,24)/t19-/m0/s1
InChIKeyPUCRWRYOJHYTGL-IBGZPJMESA-N
MW370.45 g/mol
LogP2.77
Rot. Bonds8

About 4-methoxy-N-[(2S)-1-[(2-methoxyphenyl)methylamino]-3-methyl-1-oxobutan-2-yl]benzamide

4-methoxy-N-[(2S)-1-[(2-methoxyphenyl)methylamino]-3-methyl-1-oxobutan-2-yl]benzamide (PubChem CID 2713277) has the molecular formula C21H26N2O4 and a molecular weight of 370.45 g/mol. Its IUPAC name is 4-methoxy-N-[(2S)-1-[(2-methoxyphenyl)methylamino]-3-methyl-1-oxobutan-2-yl]benzamide.

Molecular Properties

Compound Name4-methoxy-N-[(2S)-1-[(2-methoxyphenyl)methylamino]-3-methyl-1-oxobutan-2-yl]benzamide
PubChem CID2713277
Molecular FormulaC21H26N2O4
Molecular Weight370.45 g/mol
Exact Mass370.19
IUPAC Name4-methoxy-N-[(2S)-1-[(2-methoxyphenyl)methylamino]-3-methyl-1-oxobutan-2-yl]benzamide
SMILESCOc1ccc(C(=O)N[C@H](C(=O)NCc2ccccc2OC)C(C)C)cc1
InChIInChI=1S/C21H26N2O4/c1-14(2)19(23-20(24)15-9-11-17(26-3)12-10-15)21(25)22-13-16-7-5-6-8-18(16)27-4/h5-12,14,19H,13H2,1-4H3,(H,22,25)(H,23,24)/t19-/m0/s1
InChIKeyPUCRWRYOJHYTGL-IBGZPJMESA-N
XLogP2.77
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.45
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-methoxy-N-[1-[(2-methoxyphenyl)methylamino]-3-methyl-1-oxobutan-2-yl]benzamide
CID 4799536
N-[1-[(2-methoxyphenyl)methylamino]-3-methyl-1-oxobutan-2-yl]-4-methylbenzamide
CID 4801412
N-[(2R)-1-[(2-chlorophenyl)methylamino]-3-methyl-1-oxobutan-2-yl]-4-methoxybenzamide
CID 40720884
4-methoxy-N-[1-[(4-methoxyphenyl)methylamino]-3-methyl-1-oxobutan-2-yl]benzamide
CID 51159134
4-methoxy-N-[(2S)-3-methyl-1-oxo-1-(pyridin-2-ylmethylamino)butan-2-yl]benzamide
CID 2676862
N-[1-[(2-methoxyphenyl)methylamino]-1-oxopropan-2-yl]benzamide
CID 18159105
4-methoxy-N-[1-[2-(4-methoxyphenyl)ethylamino]-3-methyl-1-oxobutan-2-yl]benzamide
CID 51157879
N-[1-(butylamino)-3-methyl-1-oxobutan-2-yl]-4-methoxybenzamide
CID 3944138
[2-[(2-methoxyphenyl)methylamino]-2-oxoethyl] 2-[(4-tert-butylbenzoyl)amino]-3-methylbutanoate
CID 55305855
4-methoxy-N-[(2S)-1-[[(2S)-2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]amino]-3-methyl-1-oxobutan-2-yl]benzamide
CID 25478879
4-fluoro-N-[1-[2-(4-methoxyphenyl)ethylamino]-3-methyl-1-oxobutan-2-yl]benzamide
CID 51157888
N-[(2S)-1-[[2-(furan-2-ylmethylamino)-2-oxoethyl]amino]-3-methyl-1-oxobutan-2-yl]-4-methoxybenzamide
CID 9079883

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-[(2S)-1-[(2-methoxyphenyl)methylamino]-3-methyl-1-oxobutan-2-yl]benzamide?
The IUPAC name of 4-methoxy-N-[(2S)-1-[(2-methoxyphenyl)methylamino]-3-methyl-1-oxobutan-2-yl]benzamide (CID 2713277) is 4-methoxy-N-[(2S)-1-[(2-methoxyphenyl)methylamino]-3-methyl-1-oxobutan-2-yl]benzamide.
What is the SMILES notation for 4-methoxy-N-[(2S)-1-[(2-methoxyphenyl)methylamino]-3-methyl-1-oxobutan-2-yl]benzamide?
The canonical SMILES for 4-methoxy-N-[(2S)-1-[(2-methoxyphenyl)methylamino]-3-methyl-1-oxobutan-2-yl]benzamide is COc1ccc(C(=O)N[C@H](C(=O)NCc2ccccc2OC)C(C)C)cc1.
What is the InChIKey of 4-methoxy-N-[(2S)-1-[(2-methoxyphenyl)methylamino]-3-methyl-1-oxobutan-2-yl]benzamide?
The InChIKey is PUCRWRYOJHYTGL-IBGZPJMESA-N. The full InChI is InChI=1S/C21H26N2O4/c1-14(2)19(23-20(24)15-9-11-17(26-3)12-10-15)21(25)22-13-16-7-5-6-8-18(16)27-4/h5-12,14,19H,13H2,1-4H3,(H,22,25)(H,23,24)/t19-/m0/s1.
What are the key properties of 4-methoxy-N-[(2S)-1-[(2-methoxyphenyl)methylamino]-3-methyl-1-oxobutan-2-yl]benzamide?
4-methoxy-N-[(2S)-1-[(2-methoxyphenyl)methylamino]-3-methyl-1-oxobutan-2-yl]benzamide has a molecular weight of 370.45 g/mol, XLogP of 2.77, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-[(2S)-1-[(2-methoxyphenyl)methylamino]-3-methyl-1-oxobutan-2-yl]benzamide is sourced from PubChem (CID 2713277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).