(2,5-dimethylfuran-3-yl) N-[2-(2-methyl-1H-indol-3-yl)ethyl]carbamate

C18H20N2O3 — CID 68572367

IUPAC(2,5-dimethylfuran-3-yl) N-[2-(2-methyl-1H-indol-3-yl)ethyl]carbamate
SMILESCc1cc(OC(=O)NCCc2c(C)[nH]c3ccccc23)c(C)o1
InChIInChI=1S/C18H20N2O3/c1-11-10-17(13(3)22-11)23-18(21)19-9-8-14-12(2)20-16-7-5-4-6-15(14)16/h4-7,10,20H,8-9H2,1-3H3,(H,19,21)
InChIKeyJYBZRVFKLDCBLV-UHFFFAOYSA-N
MW312.37 g/mol
LogP4.02
Rot. Bonds4

About (2,5-dimethylfuran-3-yl) N-[2-(2-methyl-1H-indol-3-yl)ethyl]carbamate

(2,5-dimethylfuran-3-yl) N-[2-(2-methyl-1H-indol-3-yl)ethyl]carbamate (PubChem CID 68572367) has the molecular formula C18H20N2O3 and a molecular weight of 312.37 g/mol. Its IUPAC name is (2,5-dimethylfuran-3-yl) N-[2-(2-methyl-1H-indol-3-yl)ethyl]carbamate.

Molecular Properties

Compound Name(2,5-dimethylfuran-3-yl) N-[2-(2-methyl-1H-indol-3-yl)ethyl]carbamate
PubChem CID68572367
Molecular FormulaC18H20N2O3
Molecular Weight312.37 g/mol
Exact Mass312.15
IUPAC Name(2,5-dimethylfuran-3-yl) N-[2-(2-methyl-1H-indol-3-yl)ethyl]carbamate
SMILESCc1cc(OC(=O)NCCc2c(C)[nH]c3ccccc23)c(C)o1
InChIInChI=1S/C18H20N2O3/c1-11-10-17(13(3)22-11)23-18(21)19-9-8-14-12(2)20-16-7-5-4-6-15(14)16/h4-7,10,20H,8-9H2,1-3H3,(H,19,21)
InChIKeyJYBZRVFKLDCBLV-UHFFFAOYSA-N
XLogP4.02
TPSA67.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.37
LogP ≤ 54.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(3,5-dimethyl-1,2-oxazol-4-yl) N-[2-(2-methyl-1H-indol-3-yl)ethyl]carbamate
CID 68622126
2-(2-methyl-1H-indol-3-yl)ethylcarbamic acid
CID 115171128
N-[2-(2-methyl-1H-indol-3-yl)ethyl]propanamide
CID 110789052
2-methyl-N-[2-(2-methyl-1H-indol-3-yl)ethyl]propanamide
CID 110789053
1-[(2,5-dimethylfuran-3-yl)methyl]-2-methyl-3-[2-(2-methyl-1H-indol-3-yl)ethyl]guanidine;hydroiodide
CID 111580800
N-[2-(2-methyl-1H-indol-3-yl)ethyl]-3-oxobutanamide
CID 71492148
5-methyl-N-[2-(2-methyl-1H-indol-3-yl)ethyl]-1,3-oxazole-2-carboxamide
CID 112529696
3,5-dimethoxy-N-[2-(2-methyl-1H-indol-3-yl)ethyl]benzamide
CID 110789064
1-[2-(2-methyl-1H-indol-3-yl)ethyl]-3-phenylurea
CID 110775881
2-cyano-N-[2-(2-methyl-1H-indol-3-yl)ethyl]acetamide
CID 115173271
2-chloro-N-[2-(2-methyl-1H-indol-3-yl)ethyl]benzamide
CID 54776329
2-(ethylamino)-N-[2-(2-methyl-1H-indol-3-yl)ethyl]acetamide
CID 115158041

Frequently Asked Questions

What is the IUPAC name of (2,5-dimethylfuran-3-yl) N-[2-(2-methyl-1H-indol-3-yl)ethyl]carbamate?
The IUPAC name of (2,5-dimethylfuran-3-yl) N-[2-(2-methyl-1H-indol-3-yl)ethyl]carbamate (CID 68572367) is (2,5-dimethylfuran-3-yl) N-[2-(2-methyl-1H-indol-3-yl)ethyl]carbamate.
What is the SMILES notation for (2,5-dimethylfuran-3-yl) N-[2-(2-methyl-1H-indol-3-yl)ethyl]carbamate?
The canonical SMILES for (2,5-dimethylfuran-3-yl) N-[2-(2-methyl-1H-indol-3-yl)ethyl]carbamate is Cc1cc(OC(=O)NCCc2c(C)[nH]c3ccccc23)c(C)o1.
What is the InChIKey of (2,5-dimethylfuran-3-yl) N-[2-(2-methyl-1H-indol-3-yl)ethyl]carbamate?
The InChIKey is JYBZRVFKLDCBLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O3/c1-11-10-17(13(3)22-11)23-18(21)19-9-8-14-12(2)20-16-7-5-4-6-15(14)16/h4-7,10,20H,8-9H2,1-3H3,(H,19,21).
What are the key properties of (2,5-dimethylfuran-3-yl) N-[2-(2-methyl-1H-indol-3-yl)ethyl]carbamate?
(2,5-dimethylfuran-3-yl) N-[2-(2-methyl-1H-indol-3-yl)ethyl]carbamate has a molecular weight of 312.37 g/mol, XLogP of 4.02, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dimethylfuran-3-yl) N-[2-(2-methyl-1H-indol-3-yl)ethyl]carbamate is sourced from PubChem (CID 68572367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).