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

C17H16N2O4 — CID 66623107

IUPAC(5-hydroxy-1H-indol-2-yl) N-[(3-methoxyphenyl)methyl]carbamate
SMILESCOc1cccc(CNC(=O)Oc2cc3cc(O)ccc3[nH]2)c1
InChIInChI=1S/C17H16N2O4/c1-22-14-4-2-3-11(7-14)10-18-17(21)23-16-9-12-8-13(20)5-6-15(12)19-16/h2-9,19-20H,10H2,1H3,(H,18,21)
InChIKeyFITMSEFHHRTXHM-UHFFFAOYSA-N
MW312.33 g/mol
LogP3.17
Rot. Bonds4

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

(5-hydroxy-1H-indol-2-yl) N-[(3-methoxyphenyl)methyl]carbamate (PubChem CID 66623107) has the molecular formula C17H16N2O4 and a molecular weight of 312.33 g/mol. Its IUPAC name is (5-hydroxy-1H-indol-2-yl) N-[(3-methoxyphenyl)methyl]carbamate.

Molecular Properties

Compound Name(5-hydroxy-1H-indol-2-yl) N-[(3-methoxyphenyl)methyl]carbamate
PubChem CID66623107
Molecular FormulaC17H16N2O4
Molecular Weight312.33 g/mol
Exact Mass312.11
IUPAC Name(5-hydroxy-1H-indol-2-yl) N-[(3-methoxyphenyl)methyl]carbamate
SMILESCOc1cccc(CNC(=O)Oc2cc3cc(O)ccc3[nH]2)c1
InChIInChI=1S/C17H16N2O4/c1-22-14-4-2-3-11(7-14)10-18-17(21)23-16-9-12-8-13(20)5-6-15(12)19-16/h2-9,19-20H,10H2,1H3,(H,18,21)
InChIKeyFITMSEFHHRTXHM-UHFFFAOYSA-N
XLogP3.17
TPSA83.58 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.33
LogP ≤ 53.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

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2-(3-methoxyphenyl)-N-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)methyl]acetamide
CID 110785285
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N'-[(3-methoxyphenyl)methyl]oxamide
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N'-[(3-methoxyphenyl)methyl]-N-methyloxamide
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1-(3,5-dimethyl-1,2-oxazol-4-yl)-3-[(3-methoxyphenyl)methyl]urea
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CID 113207269

Frequently Asked Questions

What is the IUPAC name of (5-hydroxy-1H-indol-2-yl) N-[(3-methoxyphenyl)methyl]carbamate?
The IUPAC name of (5-hydroxy-1H-indol-2-yl) N-[(3-methoxyphenyl)methyl]carbamate (CID 66623107) is (5-hydroxy-1H-indol-2-yl) N-[(3-methoxyphenyl)methyl]carbamate.
What is the SMILES notation for (5-hydroxy-1H-indol-2-yl) N-[(3-methoxyphenyl)methyl]carbamate?
The canonical SMILES for (5-hydroxy-1H-indol-2-yl) N-[(3-methoxyphenyl)methyl]carbamate is COc1cccc(CNC(=O)Oc2cc3cc(O)ccc3[nH]2)c1.
What is the InChIKey of (5-hydroxy-1H-indol-2-yl) N-[(3-methoxyphenyl)methyl]carbamate?
The InChIKey is FITMSEFHHRTXHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O4/c1-22-14-4-2-3-11(7-14)10-18-17(21)23-16-9-12-8-13(20)5-6-15(12)19-16/h2-9,19-20H,10H2,1H3,(H,18,21).
What are the key properties of (5-hydroxy-1H-indol-2-yl) N-[(3-methoxyphenyl)methyl]carbamate?
(5-hydroxy-1H-indol-2-yl) N-[(3-methoxyphenyl)methyl]carbamate has a molecular weight of 312.33 g/mol, XLogP of 3.17, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-hydroxy-1H-indol-2-yl) N-[(3-methoxyphenyl)methyl]carbamate is sourced from PubChem (CID 66623107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).