methyl 2-[(1-ethylindole-2-carbonyl)amino]-3-methylbutanoate

C17H22N2O3 — CID 86845751

IUPACmethyl 2-[(1-ethylindole-2-carbonyl)amino]-3-methylbutanoate
SMILESCCn1c(C(=O)NC(C(=O)OC)C(C)C)cc2ccccc21
InChIInChI=1S/C17H22N2O3/c1-5-19-13-9-7-6-8-12(13)10-14(19)16(20)18-15(11(2)3)17(21)22-4/h6-11,15H,5H2,1-4H3,(H,18,20)
InChIKeyXUQROBYFMXDTLS-UHFFFAOYSA-N
MW302.37 g/mol
LogP2.59
Rot. Bonds5

About methyl 2-[(1-ethylindole-2-carbonyl)amino]-3-methylbutanoate

methyl 2-[(1-ethylindole-2-carbonyl)amino]-3-methylbutanoate (PubChem CID 86845751) has the molecular formula C17H22N2O3 and a molecular weight of 302.37 g/mol. Its IUPAC name is methyl 2-[(1-ethylindole-2-carbonyl)amino]-3-methylbutanoate.

Molecular Properties

Compound Namemethyl 2-[(1-ethylindole-2-carbonyl)amino]-3-methylbutanoate
PubChem CID86845751
Molecular FormulaC17H22N2O3
Molecular Weight302.37 g/mol
Exact Mass302.16
IUPAC Namemethyl 2-[(1-ethylindole-2-carbonyl)amino]-3-methylbutanoate
SMILESCCn1c(C(=O)NC(C(=O)OC)C(C)C)cc2ccccc21
InChIInChI=1S/C17H22N2O3/c1-5-19-13-9-7-6-8-12(13)10-14(19)16(20)18-15(11(2)3)17(21)22-4/h6-11,15H,5H2,1-4H3,(H,18,20)
InChIKeyXUQROBYFMXDTLS-UHFFFAOYSA-N
XLogP2.59
TPSA60.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.37
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl (2S)-3-methyl-2-[(1-pentylindole-2-carbonyl)amino]butanoate
CID 155540156
methyl 2-[(1-ethylindole-2-carbonyl)amino]-4-methylpentanoate
CID 60550495
1-ethylindole-2-carbohydrazide
CID 166595239
1-ethyl-N-[2-(2-methoxyethylamino)-2-oxoethyl]indole-2-carboxamide
CID 60550859
1-ethyl-N-[[1-(1-hydroxy-2-methylpropyl)cyclopropyl]methyl]indole-2-carboxamide
CID 75444716
methyl 2-[(4-benzylthieno[3,2-b]pyrrole-5-carbonyl)amino]-3-methylbutanoate
CID 51052868
3-methyl-2-[(1-methylindole-2-carbonyl)amino]butanoic acid
CID 118985938
methyl 2-[(1-methylindole-2-carbonyl)amino]propanoate
CID 56737895
1-ethyl-N-prop-2-ynylindole-2-carboxamide
CID 47335095
methyl (2R)-2-[(4-benzylfuro[3,2-b]pyrrole-5-carbonyl)amino]-3-methylbutanoate
CID 51974065
1-ethyl-N-[(2S)-2-hydroxy-2-(4-methoxyphenyl)ethyl]indole-2-carboxamide
CID 52522890
methyl 3-methyl-2-(naphthalene-2-carbonylamino)butanoate
CID 17421586

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(1-ethylindole-2-carbonyl)amino]-3-methylbutanoate?
The IUPAC name of methyl 2-[(1-ethylindole-2-carbonyl)amino]-3-methylbutanoate (CID 86845751) is methyl 2-[(1-ethylindole-2-carbonyl)amino]-3-methylbutanoate.
What is the SMILES notation for methyl 2-[(1-ethylindole-2-carbonyl)amino]-3-methylbutanoate?
The canonical SMILES for methyl 2-[(1-ethylindole-2-carbonyl)amino]-3-methylbutanoate is CCn1c(C(=O)NC(C(=O)OC)C(C)C)cc2ccccc21.
What is the InChIKey of methyl 2-[(1-ethylindole-2-carbonyl)amino]-3-methylbutanoate?
The InChIKey is XUQROBYFMXDTLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O3/c1-5-19-13-9-7-6-8-12(13)10-14(19)16(20)18-15(11(2)3)17(21)22-4/h6-11,15H,5H2,1-4H3,(H,18,20).
What are the key properties of methyl 2-[(1-ethylindole-2-carbonyl)amino]-3-methylbutanoate?
methyl 2-[(1-ethylindole-2-carbonyl)amino]-3-methylbutanoate has a molecular weight of 302.37 g/mol, XLogP of 2.59, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(1-ethylindole-2-carbonyl)amino]-3-methylbutanoate is sourced from PubChem (CID 86845751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).