methyl 2-[(1-ethylindole-2-carbonyl)amino]-4-methylpentanoate

C18H24N2O3 — CID 60550495

IUPACmethyl 2-[(1-ethylindole-2-carbonyl)amino]-4-methylpentanoate
SMILESCCn1c(C(=O)NC(CC(C)C)C(=O)OC)cc2ccccc21
InChIInChI=1S/C18H24N2O3/c1-5-20-15-9-7-6-8-13(15)11-16(20)17(21)19-14(10-12(2)3)18(22)23-4/h6-9,11-12,14H,5,10H2,1-4H3,(H,19,21)
InChIKeyUNMIXXCIZLVCEN-UHFFFAOYSA-N
MW316.40 g/mol
LogP2.98
Rot. Bonds6

About methyl 2-[(1-ethylindole-2-carbonyl)amino]-4-methylpentanoate

methyl 2-[(1-ethylindole-2-carbonyl)amino]-4-methylpentanoate (PubChem CID 60550495) has the molecular formula C18H24N2O3 and a molecular weight of 316.40 g/mol. Its IUPAC name is methyl 2-[(1-ethylindole-2-carbonyl)amino]-4-methylpentanoate.

Molecular Properties

Compound Namemethyl 2-[(1-ethylindole-2-carbonyl)amino]-4-methylpentanoate
PubChem CID60550495
Molecular FormulaC18H24N2O3
Molecular Weight316.40 g/mol
Exact Mass316.18
IUPAC Namemethyl 2-[(1-ethylindole-2-carbonyl)amino]-4-methylpentanoate
SMILESCCn1c(C(=O)NC(CC(C)C)C(=O)OC)cc2ccccc21
InChIInChI=1S/C18H24N2O3/c1-5-20-15-9-7-6-8-13(15)11-16(20)17(21)19-14(10-12(2)3)18(22)23-4/h6-9,11-12,14H,5,10H2,1-4H3,(H,19,21)
InChIKeyUNMIXXCIZLVCEN-UHFFFAOYSA-N
XLogP2.98
TPSA60.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.40
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[(1-ethylindole-2-carbonyl)amino]-4-methylpentanoate?
The IUPAC name of methyl 2-[(1-ethylindole-2-carbonyl)amino]-4-methylpentanoate (CID 60550495) is methyl 2-[(1-ethylindole-2-carbonyl)amino]-4-methylpentanoate.
What is the SMILES notation for methyl 2-[(1-ethylindole-2-carbonyl)amino]-4-methylpentanoate?
The canonical SMILES for methyl 2-[(1-ethylindole-2-carbonyl)amino]-4-methylpentanoate is CCn1c(C(=O)NC(CC(C)C)C(=O)OC)cc2ccccc21.
What is the InChIKey of methyl 2-[(1-ethylindole-2-carbonyl)amino]-4-methylpentanoate?
The InChIKey is UNMIXXCIZLVCEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O3/c1-5-20-15-9-7-6-8-13(15)11-16(20)17(21)19-14(10-12(2)3)18(22)23-4/h6-9,11-12,14H,5,10H2,1-4H3,(H,19,21).
What are the key properties of methyl 2-[(1-ethylindole-2-carbonyl)amino]-4-methylpentanoate?
methyl 2-[(1-ethylindole-2-carbonyl)amino]-4-methylpentanoate has a molecular weight of 316.40 g/mol, XLogP of 2.98, 6 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]-4-methylpentanoate is sourced from PubChem (CID 60550495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).