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

C19H20N2O3 — CID 6734996

IUPAC(3-methylphenyl)methyl N-[2-(5-hydroxy-1H-indol-3-yl)ethyl]carbamate
SMILESCc1cccc(COC(=O)NCCc2c[nH]c3ccc(O)cc23)c1
InChIInChI=1S/C19H20N2O3/c1-13-3-2-4-14(9-13)12-24-19(23)20-8-7-15-11-21-18-6-5-16(22)10-17(15)18/h2-6,9-11,21-22H,7-8,12H2,1H3,(H,20,23)
InChIKeyKYDDKIYFAQYFRY-UHFFFAOYSA-N
MW324.38 g/mol
LogP3.65
Rot. Bonds5

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

(3-methylphenyl)methyl N-[2-(5-hydroxy-1H-indol-3-yl)ethyl]carbamate (PubChem CID 6734996) has the molecular formula C19H20N2O3 and a molecular weight of 324.38 g/mol. Its IUPAC name is (3-methylphenyl)methyl N-[2-(5-hydroxy-1H-indol-3-yl)ethyl]carbamate.

Molecular Properties

Compound Name(3-methylphenyl)methyl N-[2-(5-hydroxy-1H-indol-3-yl)ethyl]carbamate
PubChem CID6734996
Molecular FormulaC19H20N2O3
Molecular Weight324.38 g/mol
Exact Mass324.15
IUPAC Name(3-methylphenyl)methyl N-[2-(5-hydroxy-1H-indol-3-yl)ethyl]carbamate
SMILESCc1cccc(COC(=O)NCCc2c[nH]c3ccc(O)cc23)c1
InChIInChI=1S/C19H20N2O3/c1-13-3-2-4-14(9-13)12-24-19(23)20-8-7-15-11-21-18-6-5-16(22)10-17(15)18/h2-6,9-11,21-22H,7-8,12H2,1H3,(H,20,23)
InChIKeyKYDDKIYFAQYFRY-UHFFFAOYSA-N
XLogP3.65
TPSA74.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.38
LogP ≤ 53.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(6-methyl-2-pyridinyl)methyl N-[2-(5-hydroxy-1H-indol-3-yl)ethyl]carbamate
CID 6735938
(4-methoxyphenyl) N-[2-(5-hydroxy-1H-indol-3-yl)ethyl]carbamate
CID 24749698
(2-chloro-4,5-dimethoxyphenyl)methyl N-[2-(5-hydroxy-1H-indol-3-yl)ethyl]carbamate
CID 6737402
3-[2-(phenylmethoxycarbonylamino)ethyl]-1H-indole-5-sulfonic acid
CID 163199434
benzyl N-[2-[5-(propan-2-ylcarbamoyl)-1H-indol-3-yl]ethyl]carbamate
CID 131712085
benzyl N-[2-[5-(methylsulfamoylmethyl)-1H-indol-3-yl]ethyl]carbamate
CID 14555103
benzyl N-[2-(5-sulfooxy-1H-indol-3-yl)ethyl]carbamate
CID 71313888
3-(2-aminoethyl)-1H-indol-5-ol;deuterium monohydride;methane;N-[2-(5-methyl-1H-indol-3-yl)ethyl]acetamide;hydrochloride
CID 158992514
2-(3-methoxyphenyl)ethyl N-[2-(5-methoxy-1H-indol-3-yl)ethyl]carbamate
CID 6733827
N-[2-[2-(1H-indol-3-yl)ethylamino]-2-oxoethyl]-2-(3-methylphenyl)acetamide
CID 112993936
2-amino-N-[2-[[2-[2-(5-hydroxy-1H-indol-3-yl)ethylamino]-2-oxoethyl]amino]-2-oxoethyl]acetamide
CID 3344323
2,6-dimethoxy-N-[2-(5-methyl-1H-indol-3-yl)ethyl]benzamide
CID 17271734

Frequently Asked Questions

What is the IUPAC name of (3-methylphenyl)methyl N-[2-(5-hydroxy-1H-indol-3-yl)ethyl]carbamate?
The IUPAC name of (3-methylphenyl)methyl N-[2-(5-hydroxy-1H-indol-3-yl)ethyl]carbamate (CID 6734996) is (3-methylphenyl)methyl N-[2-(5-hydroxy-1H-indol-3-yl)ethyl]carbamate.
What is the SMILES notation for (3-methylphenyl)methyl N-[2-(5-hydroxy-1H-indol-3-yl)ethyl]carbamate?
The canonical SMILES for (3-methylphenyl)methyl N-[2-(5-hydroxy-1H-indol-3-yl)ethyl]carbamate is Cc1cccc(COC(=O)NCCc2c[nH]c3ccc(O)cc23)c1.
What is the InChIKey of (3-methylphenyl)methyl N-[2-(5-hydroxy-1H-indol-3-yl)ethyl]carbamate?
The InChIKey is KYDDKIYFAQYFRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O3/c1-13-3-2-4-14(9-13)12-24-19(23)20-8-7-15-11-21-18-6-5-16(22)10-17(15)18/h2-6,9-11,21-22H,7-8,12H2,1H3,(H,20,23).
What are the key properties of (3-methylphenyl)methyl N-[2-(5-hydroxy-1H-indol-3-yl)ethyl]carbamate?
(3-methylphenyl)methyl N-[2-(5-hydroxy-1H-indol-3-yl)ethyl]carbamate has a molecular weight of 324.38 g/mol, XLogP of 3.65, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methylphenyl)methyl N-[2-(5-hydroxy-1H-indol-3-yl)ethyl]carbamate is sourced from PubChem (CID 6734996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).