methyl (2R)-4-methyl-2-[[5-(3-methylphenoxy)-1H-indole-2-carbonyl]amino]pentanoate

C23H26N2O4 — CID 7325225

IUPACmethyl (2R)-4-methyl-2-[[5-(3-methylphenoxy)-1H-indole-2-carbonyl]amino]pentanoate
SMILESCOC(=O)[C@@H](CC(C)C)NC(=O)c1cc2cc(Oc3cccc(C)c3)ccc2[nH]1
InChIInChI=1S/C23H26N2O4/c1-14(2)10-21(23(27)28-4)25-22(26)20-13-16-12-18(8-9-19(16)24-20)29-17-7-5-6-15(3)11-17/h5-9,11-14,21,24H,10H2,1-4H3,(H,25,26)/t21-/m1/s1
InChIKeyQPAAVTQXJJKZQJ-OAQYLSRUSA-N
MW394.47 g/mol
LogP4.59
Rot. Bonds7

About methyl (2R)-4-methyl-2-[[5-(3-methylphenoxy)-1H-indole-2-carbonyl]amino]pentanoate

methyl (2R)-4-methyl-2-[[5-(3-methylphenoxy)-1H-indole-2-carbonyl]amino]pentanoate (PubChem CID 7325225) has the molecular formula C23H26N2O4 and a molecular weight of 394.47 g/mol. Its IUPAC name is methyl (2R)-4-methyl-2-[[5-(3-methylphenoxy)-1H-indole-2-carbonyl]amino]pentanoate.

Molecular Properties

Compound Namemethyl (2R)-4-methyl-2-[[5-(3-methylphenoxy)-1H-indole-2-carbonyl]amino]pentanoate
PubChem CID7325225
Molecular FormulaC23H26N2O4
Molecular Weight394.47 g/mol
Exact Mass394.19
IUPAC Namemethyl (2R)-4-methyl-2-[[5-(3-methylphenoxy)-1H-indole-2-carbonyl]amino]pentanoate
SMILESCOC(=O)[C@@H](CC(C)C)NC(=O)c1cc2cc(Oc3cccc(C)c3)ccc2[nH]1
InChIInChI=1S/C23H26N2O4/c1-14(2)10-21(23(27)28-4)25-22(26)20-13-16-12-18(8-9-19(16)24-20)29-17-7-5-6-15(3)11-17/h5-9,11-14,21,24H,10H2,1-4H3,(H,25,26)/t21-/m1/s1
InChIKeyQPAAVTQXJJKZQJ-OAQYLSRUSA-N
XLogP4.59
TPSA80.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.47
LogP ≤ 54.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze methyl (2R)-4-methyl-2-[[5-(3-methylphenoxy)-1H-indole-2-carbonyl]amino]pentanoate with MolForge

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Related Compounds

5-phenoxy-N-(4-phenylbutan-2-yl)-1H-indole-2-carboxamide
CID 3921208
5-methoxy-N-propan-2-yl-1H-indole-2-carboxamide
CID 110847836
5-methoxy-N-[(2S)-1-methoxypropan-2-yl]-1H-indole-2-carboxamide
CID 6926471
(2S)-2-[(5-methoxy-1H-indole-2-carbonyl)amino]propanoic acid
CID 110834885
methyl 2-[(4-methoxybenzoyl)amino]-4-methylpentanoate
CID 3376404
methyl (2S)-2-[(2-amino-5-methylbenzoyl)amino]-4-methylpentanoate
CID 103954859
5-phenoxy-1H-indole-2-carboxamide
CID 58720348
methyl (2S)-2-[[5-(2-morpholin-4-ylethoxy)-1H-indole-2-carbonyl]amino]-3-phenylpropanoate
CID 20604417
methyl (2R)-4-methyl-2-[[(2R)-2-(3-propan-2-ylphenoxy)propanoyl]amino]pentanoate
CID 52652389
methyl 4-methyl-2-[3-[(3-methylbenzoyl)amino]propanoylamino]pentanoate
CID 51064933
methyl 2-[(2,3-dimethyl-1H-indole-5-carbonyl)amino]-4-methylpentanoate
CID 42910188
methyl (2S)-2-[(3-aminobenzoyl)amino]-4-methylpentanoate
CID 59948585

Frequently Asked Questions

What is the IUPAC name of methyl (2R)-4-methyl-2-[[5-(3-methylphenoxy)-1H-indole-2-carbonyl]amino]pentanoate?
The IUPAC name of methyl (2R)-4-methyl-2-[[5-(3-methylphenoxy)-1H-indole-2-carbonyl]amino]pentanoate (CID 7325225) is methyl (2R)-4-methyl-2-[[5-(3-methylphenoxy)-1H-indole-2-carbonyl]amino]pentanoate.
What is the SMILES notation for methyl (2R)-4-methyl-2-[[5-(3-methylphenoxy)-1H-indole-2-carbonyl]amino]pentanoate?
The canonical SMILES for methyl (2R)-4-methyl-2-[[5-(3-methylphenoxy)-1H-indole-2-carbonyl]amino]pentanoate is COC(=O)[C@@H](CC(C)C)NC(=O)c1cc2cc(Oc3cccc(C)c3)ccc2[nH]1.
What is the InChIKey of methyl (2R)-4-methyl-2-[[5-(3-methylphenoxy)-1H-indole-2-carbonyl]amino]pentanoate?
The InChIKey is QPAAVTQXJJKZQJ-OAQYLSRUSA-N. The full InChI is InChI=1S/C23H26N2O4/c1-14(2)10-21(23(27)28-4)25-22(26)20-13-16-12-18(8-9-19(16)24-20)29-17-7-5-6-15(3)11-17/h5-9,11-14,21,24H,10H2,1-4H3,(H,25,26)/t21-/m1/s1.
What are the key properties of methyl (2R)-4-methyl-2-[[5-(3-methylphenoxy)-1H-indole-2-carbonyl]amino]pentanoate?
methyl (2R)-4-methyl-2-[[5-(3-methylphenoxy)-1H-indole-2-carbonyl]amino]pentanoate has a molecular weight of 394.47 g/mol, XLogP of 4.59, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2R)-4-methyl-2-[[5-(3-methylphenoxy)-1H-indole-2-carbonyl]amino]pentanoate is sourced from PubChem (CID 7325225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).