cyclopropylmethyl N-[2-(4-hydroxy-1-methylindol-3-yl)ethyl]carbamate

C16H20N2O3 — CID 166732599

IUPACcyclopropylmethyl N-[2-(4-hydroxy-1-methylindol-3-yl)ethyl]carbamate
SMILESCn1cc(CCNC(=O)OCC2CC2)c2c(O)cccc21
InChIInChI=1S/C16H20N2O3/c1-18-9-12(15-13(18)3-2-4-14(15)19)7-8-17-16(20)21-10-11-5-6-11/h2-4,9,11,19H,5-8,10H2,1H3,(H,17,20)
InChIKeyPNCUAJQLPPNRBQ-UHFFFAOYSA-N
MW288.35 g/mol
LogP2.56
Rot. Bonds5

About cyclopropylmethyl N-[2-(4-hydroxy-1-methylindol-3-yl)ethyl]carbamate

cyclopropylmethyl N-[2-(4-hydroxy-1-methylindol-3-yl)ethyl]carbamate (PubChem CID 166732599) has the molecular formula C16H20N2O3 and a molecular weight of 288.35 g/mol. Its IUPAC name is cyclopropylmethyl N-[2-(4-hydroxy-1-methylindol-3-yl)ethyl]carbamate.

Molecular Properties

Compound Namecyclopropylmethyl N-[2-(4-hydroxy-1-methylindol-3-yl)ethyl]carbamate
PubChem CID166732599
Molecular FormulaC16H20N2O3
Molecular Weight288.35 g/mol
Exact Mass288.15
IUPAC Namecyclopropylmethyl N-[2-(4-hydroxy-1-methylindol-3-yl)ethyl]carbamate
SMILESCn1cc(CCNC(=O)OCC2CC2)c2c(O)cccc21
InChIInChI=1S/C16H20N2O3/c1-18-9-12(15-13(18)3-2-4-14(15)19)7-8-17-16(20)21-10-11-5-6-11/h2-4,9,11,19H,5-8,10H2,1H3,(H,17,20)
InChIKeyPNCUAJQLPPNRBQ-UHFFFAOYSA-N
XLogP2.56
TPSA63.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

methyl N-[2-(1-methylindol-3-yl)ethyl]carbamate
CID 14613226
1-cyclopentyl-3-[2-(1-methylindol-3-yl)ethyl]urea
CID 110748890
3-[(2-hydroxyphenoxy)methyl]-1-methylindol-4-ol
CID 117171302
2-amino-N-[2-(1-methylindol-3-yl)ethyl]acetamide
CID 82495529
1-methyl-3-[2-[(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)amino]ethyl]indole-4-carboxylic acid
CID 66772104
3-(ethylsulfanylmethyl)-1-methylindol-4-ol
CID 117171494
(4-hydroxycyclohexyl)methyl 1-methylindole-3-carboxylate
CID 140552406
tert-butyl N-[2-(4-hydroxy-1-methylindol-3-yl)ethyl]-N-(2,2,2-trifluoroethyl)carbamate
CID 156852033
1-(4-hydroxy-1-methylindol-3-yl)ethanone
CID 82655872
N-[2-(5-fluoro-4-methoxy-1-methylindol-3-yl)ethyl]pyrrolidine-2-carboxamide
CID 66927107
N-[2-(1-methylindol-3-yl)ethyl]-2-phenylacetamide
CID 45069412
N-[2-(1-methylpyrrolo[3,2-b]pyridin-3-yl)ethyl]acetamide
CID 141008182

Frequently Asked Questions

What is the IUPAC name of cyclopropylmethyl N-[2-(4-hydroxy-1-methylindol-3-yl)ethyl]carbamate?
The IUPAC name of cyclopropylmethyl N-[2-(4-hydroxy-1-methylindol-3-yl)ethyl]carbamate (CID 166732599) is cyclopropylmethyl N-[2-(4-hydroxy-1-methylindol-3-yl)ethyl]carbamate.
What is the SMILES notation for cyclopropylmethyl N-[2-(4-hydroxy-1-methylindol-3-yl)ethyl]carbamate?
The canonical SMILES for cyclopropylmethyl N-[2-(4-hydroxy-1-methylindol-3-yl)ethyl]carbamate is Cn1cc(CCNC(=O)OCC2CC2)c2c(O)cccc21.
What is the InChIKey of cyclopropylmethyl N-[2-(4-hydroxy-1-methylindol-3-yl)ethyl]carbamate?
The InChIKey is PNCUAJQLPPNRBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O3/c1-18-9-12(15-13(18)3-2-4-14(15)19)7-8-17-16(20)21-10-11-5-6-11/h2-4,9,11,19H,5-8,10H2,1H3,(H,17,20).
What are the key properties of cyclopropylmethyl N-[2-(4-hydroxy-1-methylindol-3-yl)ethyl]carbamate?
cyclopropylmethyl N-[2-(4-hydroxy-1-methylindol-3-yl)ethyl]carbamate has a molecular weight of 288.35 g/mol, XLogP of 2.56, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropylmethyl N-[2-(4-hydroxy-1-methylindol-3-yl)ethyl]carbamate is sourced from PubChem (CID 166732599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).