N-[(1S)-1-(5-methylfuran-2-yl)ethyl]-2-(2-methyl-1H-indol-3-yl)acetamide

C18H20N2O2 — CID 51935996

IUPACN-[(1S)-1-(5-methylfuran-2-yl)ethyl]-2-(2-methyl-1H-indol-3-yl)acetamide
SMILESCc1ccc([C@H](C)NC(=O)Cc2c(C)[nH]c3ccccc23)o1
InChIInChI=1S/C18H20N2O2/c1-11-8-9-17(22-11)13(3)20-18(21)10-15-12(2)19-16-7-5-4-6-14(15)16/h4-9,13,19H,10H2,1-3H3,(H,20,21)/t13-/m0/s1
InChIKeyUCHFHPODDZGKNL-ZDUSSCGKSA-N
MW296.37 g/mol
LogP3.80
Rot. Bonds4

About N-[(1S)-1-(5-methylfuran-2-yl)ethyl]-2-(2-methyl-1H-indol-3-yl)acetamide

N-[(1S)-1-(5-methylfuran-2-yl)ethyl]-2-(2-methyl-1H-indol-3-yl)acetamide (PubChem CID 51935996) has the molecular formula C18H20N2O2 and a molecular weight of 296.37 g/mol. Its IUPAC name is N-[(1S)-1-(5-methylfuran-2-yl)ethyl]-2-(2-methyl-1H-indol-3-yl)acetamide.

Molecular Properties

Compound NameN-[(1S)-1-(5-methylfuran-2-yl)ethyl]-2-(2-methyl-1H-indol-3-yl)acetamide
PubChem CID51935996
Molecular FormulaC18H20N2O2
Molecular Weight296.37 g/mol
Exact Mass296.15
IUPAC NameN-[(1S)-1-(5-methylfuran-2-yl)ethyl]-2-(2-methyl-1H-indol-3-yl)acetamide
SMILESCc1ccc([C@H](C)NC(=O)Cc2c(C)[nH]c3ccccc23)o1
InChIInChI=1S/C18H20N2O2/c1-11-8-9-17(22-11)13(3)20-18(21)10-15-12(2)19-16-7-5-4-6-14(15)16/h4-9,13,19H,10H2,1-3H3,(H,20,21)/t13-/m0/s1
InChIKeyUCHFHPODDZGKNL-ZDUSSCGKSA-N
XLogP3.80
TPSA58.03 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 53.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Related Compounds

N-(4-hydroxybutan-2-yl)-2-(2-methyl-1H-indol-3-yl)acetamide
CID 81042798
(2S,3S)-3-methyl-2-[[2-(2-methyl-1H-indol-3-yl)acetyl]amino]pentanoic acid
CID 119194327
N-(2-aminopropyl)-2-(2-methyl-1H-indol-3-yl)acetamide
CID 110833859
2-[[2-(2-methyl-1H-indol-3-yl)acetyl]amino]pentanoic acid
CID 43630780
methyl (2S,3S)-3-methyl-2-[[2-(2-methyl-1H-indol-3-yl)acetyl]amino]pent-4-enoate
CID 97256616
2-(2-aminophenyl)-N-[1-(5-methylfuran-2-yl)ethyl]acetamide
CID 61138769
N-(3-hydroxy-2-methylpropyl)-2-(2-methyl-1H-indol-3-yl)acetamide
CID 65036979
2-(4-fluorophenyl)-N-[(1R)-1-(5-methylfuran-2-yl)ethyl]acetamide
CID 51922977
2-(2-methyl-1H-indol-3-yl)-N-[2-(propan-2-ylcarbamoylamino)phenyl]acetamide
CID 60555655
N-(furan-2-ylmethyl)-2-(2-methyl-1H-indol-3-yl)acetamide
CID 31848406
N-[1-(5-methylfuran-2-yl)ethyl]-2-thiophen-2-ylacetamide
CID 47007711
N-(2-hydroxyphenyl)-2-(2-methyl-1H-indol-3-yl)acetamide
CID 31984043

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(5-methylfuran-2-yl)ethyl]-2-(2-methyl-1H-indol-3-yl)acetamide?
The IUPAC name of N-[(1S)-1-(5-methylfuran-2-yl)ethyl]-2-(2-methyl-1H-indol-3-yl)acetamide (CID 51935996) is N-[(1S)-1-(5-methylfuran-2-yl)ethyl]-2-(2-methyl-1H-indol-3-yl)acetamide.
What is the SMILES notation for N-[(1S)-1-(5-methylfuran-2-yl)ethyl]-2-(2-methyl-1H-indol-3-yl)acetamide?
The canonical SMILES for N-[(1S)-1-(5-methylfuran-2-yl)ethyl]-2-(2-methyl-1H-indol-3-yl)acetamide is Cc1ccc([C@H](C)NC(=O)Cc2c(C)[nH]c3ccccc23)o1.
What is the InChIKey of N-[(1S)-1-(5-methylfuran-2-yl)ethyl]-2-(2-methyl-1H-indol-3-yl)acetamide?
The InChIKey is UCHFHPODDZGKNL-ZDUSSCGKSA-N. The full InChI is InChI=1S/C18H20N2O2/c1-11-8-9-17(22-11)13(3)20-18(21)10-15-12(2)19-16-7-5-4-6-14(15)16/h4-9,13,19H,10H2,1-3H3,(H,20,21)/t13-/m0/s1.
What are the key properties of N-[(1S)-1-(5-methylfuran-2-yl)ethyl]-2-(2-methyl-1H-indol-3-yl)acetamide?
N-[(1S)-1-(5-methylfuran-2-yl)ethyl]-2-(2-methyl-1H-indol-3-yl)acetamide has a molecular weight of 296.37 g/mol, XLogP of 3.80, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-(5-methylfuran-2-yl)ethyl]-2-(2-methyl-1H-indol-3-yl)acetamide is sourced from PubChem (CID 51935996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).