2-methoxy-N-[(2S)-3-methyl-1-oxo-1-(2-phenoxyethylamino)butan-2-yl]benzamide

C21H26N2O4 — CID 33249575

IUPAC2-methoxy-N-[(2S)-3-methyl-1-oxo-1-(2-phenoxyethylamino)butan-2-yl]benzamide
SMILESCOc1ccccc1C(=O)N[C@H](C(=O)NCCOc1ccccc1)C(C)C
InChIInChI=1S/C21H26N2O4/c1-15(2)19(23-20(24)17-11-7-8-12-18(17)26-3)21(25)22-13-14-27-16-9-5-4-6-10-16/h4-12,15,19H,13-14H2,1-3H3,(H,22,25)(H,23,24)/t19-/m0/s1
InChIKeyWDTATQVGBJVXIZ-IBGZPJMESA-N
MW370.45 g/mol
LogP2.64
Rot. Bonds9

About 2-methoxy-N-[(2S)-3-methyl-1-oxo-1-(2-phenoxyethylamino)butan-2-yl]benzamide

2-methoxy-N-[(2S)-3-methyl-1-oxo-1-(2-phenoxyethylamino)butan-2-yl]benzamide (PubChem CID 33249575) has the molecular formula C21H26N2O4 and a molecular weight of 370.45 g/mol. Its IUPAC name is 2-methoxy-N-[(2S)-3-methyl-1-oxo-1-(2-phenoxyethylamino)butan-2-yl]benzamide.

Molecular Properties

Compound Name2-methoxy-N-[(2S)-3-methyl-1-oxo-1-(2-phenoxyethylamino)butan-2-yl]benzamide
PubChem CID33249575
Molecular FormulaC21H26N2O4
Molecular Weight370.45 g/mol
Exact Mass370.19
IUPAC Name2-methoxy-N-[(2S)-3-methyl-1-oxo-1-(2-phenoxyethylamino)butan-2-yl]benzamide
SMILESCOc1ccccc1C(=O)N[C@H](C(=O)NCCOc1ccccc1)C(C)C
InChIInChI=1S/C21H26N2O4/c1-15(2)19(23-20(24)17-11-7-8-12-18(17)26-3)21(25)22-13-14-27-16-9-5-4-6-10-16/h4-12,15,19H,13-14H2,1-3H3,(H,22,25)(H,23,24)/t19-/m0/s1
InChIKeyWDTATQVGBJVXIZ-IBGZPJMESA-N
XLogP2.64
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.45
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[1-(2-hydroxyethylamino)-3-methyl-1-oxobutan-2-yl]-2-methoxybenzamide
CID 78799665
2-chloro-N-[1-[2-(2-methoxyphenoxy)ethylamino]-3-methyl-1-oxobutan-2-yl]benzamide
CID 55343742
2-methoxy-N-[3-methyl-1-[3-(methylamino)propylamino]-1-oxobutan-2-yl]benzamide;hydrochloride
CID 119429462
N-[(2S)-1-(4-acetamidoanilino)-3-methyl-1-oxobutan-2-yl]-2-methoxybenzamide
CID 29195554
N-[1-[(2-amino-2-ethylbutyl)amino]-3-methyl-1-oxobutan-2-yl]-2-methoxybenzamide;hydrochloride
CID 119639651
N-[(2S)-1-(cyclopentylamino)-3-methyl-1-oxobutan-2-yl]-2-methoxybenzamide
CID 9208969
N-[1-[2-(4-chlorophenoxy)ethylamino]-3-methyl-1-oxobutan-2-yl]-4-methoxybenzamide
CID 134014648
N-[1-[3-(4-benzylpiperazin-1-yl)propylamino]-3-methyl-1-oxobutan-2-yl]-2-methoxybenzamide
CID 55634046
N-[(2S)-1-(4-iodoanilino)-3-methyl-1-oxobutan-2-yl]-2-methoxybenzamide
CID 29204396
N-[1-[2-(2-methoxyphenoxy)ethylamino]-3-methyl-1-oxobutan-2-yl]-3-methylbenzamide
CID 46419166
2-[(2R)-1-[2-(3,4-dimethoxyphenyl)ethylamino]-1-oxopropan-2-yl]oxy-N-(2-phenoxyethyl)benzamide
CID 42561404
2-methoxy-N-[3-methyl-1-oxo-1-[2-(1-phenylpyrazol-4-yl)ethylamino]butan-2-yl]benzamide
CID 55505008

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-[(2S)-3-methyl-1-oxo-1-(2-phenoxyethylamino)butan-2-yl]benzamide?
The IUPAC name of 2-methoxy-N-[(2S)-3-methyl-1-oxo-1-(2-phenoxyethylamino)butan-2-yl]benzamide (CID 33249575) is 2-methoxy-N-[(2S)-3-methyl-1-oxo-1-(2-phenoxyethylamino)butan-2-yl]benzamide.
What is the SMILES notation for 2-methoxy-N-[(2S)-3-methyl-1-oxo-1-(2-phenoxyethylamino)butan-2-yl]benzamide?
The canonical SMILES for 2-methoxy-N-[(2S)-3-methyl-1-oxo-1-(2-phenoxyethylamino)butan-2-yl]benzamide is COc1ccccc1C(=O)N[C@H](C(=O)NCCOc1ccccc1)C(C)C.
What is the InChIKey of 2-methoxy-N-[(2S)-3-methyl-1-oxo-1-(2-phenoxyethylamino)butan-2-yl]benzamide?
The InChIKey is WDTATQVGBJVXIZ-IBGZPJMESA-N. The full InChI is InChI=1S/C21H26N2O4/c1-15(2)19(23-20(24)17-11-7-8-12-18(17)26-3)21(25)22-13-14-27-16-9-5-4-6-10-16/h4-12,15,19H,13-14H2,1-3H3,(H,22,25)(H,23,24)/t19-/m0/s1.
What are the key properties of 2-methoxy-N-[(2S)-3-methyl-1-oxo-1-(2-phenoxyethylamino)butan-2-yl]benzamide?
2-methoxy-N-[(2S)-3-methyl-1-oxo-1-(2-phenoxyethylamino)butan-2-yl]benzamide has a molecular weight of 370.45 g/mol, XLogP of 2.64, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-[(2S)-3-methyl-1-oxo-1-(2-phenoxyethylamino)butan-2-yl]benzamide is sourced from PubChem (CID 33249575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).