phenyl N-[(2-methyl-1H-indol-3-yl)methyl]carbamate

C17H16N2O2 — CID 110782331

IUPACphenyl N-[(2-methyl-1H-indol-3-yl)methyl]carbamate
SMILESCc1[nH]c2ccccc2c1CNC(=O)Oc1ccccc1
InChIInChI=1S/C17H16N2O2/c1-12-15(14-9-5-6-10-16(14)19-12)11-18-17(20)21-13-7-3-2-4-8-13/h2-10,19H,11H2,1H3,(H,18,20)
InChIKeyXPXWAFQCUWEEOP-UHFFFAOYSA-N
MW280.33 g/mol
LogP3.76
Rot. Bonds3

About phenyl N-[(2-methyl-1H-indol-3-yl)methyl]carbamate

phenyl N-[(2-methyl-1H-indol-3-yl)methyl]carbamate (PubChem CID 110782331) has the molecular formula C17H16N2O2 and a molecular weight of 280.33 g/mol. Its IUPAC name is phenyl N-[(2-methyl-1H-indol-3-yl)methyl]carbamate.

Molecular Properties

Compound Namephenyl N-[(2-methyl-1H-indol-3-yl)methyl]carbamate
PubChem CID110782331
Molecular FormulaC17H16N2O2
Molecular Weight280.33 g/mol
Exact Mass280.12
IUPAC Namephenyl N-[(2-methyl-1H-indol-3-yl)methyl]carbamate
SMILESCc1[nH]c2ccccc2c1CNC(=O)Oc1ccccc1
InChIInChI=1S/C17H16N2O2/c1-12-15(14-9-5-6-10-16(14)19-12)11-18-17(20)21-13-7-3-2-4-8-13/h2-10,19H,11H2,1H3,(H,18,20)
InChIKeyXPXWAFQCUWEEOP-UHFFFAOYSA-N
XLogP3.76
TPSA54.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.33
LogP ≤ 53.76
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

methyl N-[(2-methyl-1H-indol-3-yl)methyl]carbamate
CID 110782329
N-[(2-methyl-1H-indol-3-yl)methyl]-2-phenoxyacetamide
CID 110782317
1-methyl-3-[(2-methyl-1H-indol-3-yl)methyl]urea
CID 115169132
1-[(2-methyl-1H-indol-3-yl)methyl]-3-propylurea
CID 110775099
N-[(2-methyl-1H-indol-3-yl)methyl]thiophene-2-carboxamide
CID 110782300
4-amino-N-[(2-methyl-1H-indol-3-yl)methyl]butanamide
CID 115155288
2-(2-methyl-1H-indol-3-yl)ethylcarbamic acid
CID 115171128
5-bromo-N-[(2-methyl-1H-indol-3-yl)methyl]furan-2-carboxamide
CID 110794088
2-(cyclopropylamino)-N-[(2-methyl-1H-indol-3-yl)methyl]acetamide
CID 115158454
2-(hydroxymethyl)-N-[(2-methyl-1H-indol-3-yl)methyl]butanamide
CID 115186562
N-[(2-methyl-1H-indol-3-yl)methyl]pyrazine-2-carboxamide
CID 110794075
phenyl N-[(2R)-3-(2-methyl-1H-indol-3-yl)-1-oxo-1-(thiophen-2-ylamino)propan-2-yl]carbamate
CID 44608889

Frequently Asked Questions

What is the IUPAC name of phenyl N-[(2-methyl-1H-indol-3-yl)methyl]carbamate?
The IUPAC name of phenyl N-[(2-methyl-1H-indol-3-yl)methyl]carbamate (CID 110782331) is phenyl N-[(2-methyl-1H-indol-3-yl)methyl]carbamate.
What is the SMILES notation for phenyl N-[(2-methyl-1H-indol-3-yl)methyl]carbamate?
The canonical SMILES for phenyl N-[(2-methyl-1H-indol-3-yl)methyl]carbamate is Cc1[nH]c2ccccc2c1CNC(=O)Oc1ccccc1.
What is the InChIKey of phenyl N-[(2-methyl-1H-indol-3-yl)methyl]carbamate?
The InChIKey is XPXWAFQCUWEEOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O2/c1-12-15(14-9-5-6-10-16(14)19-12)11-18-17(20)21-13-7-3-2-4-8-13/h2-10,19H,11H2,1H3,(H,18,20).
What are the key properties of phenyl N-[(2-methyl-1H-indol-3-yl)methyl]carbamate?
phenyl N-[(2-methyl-1H-indol-3-yl)methyl]carbamate has a molecular weight of 280.33 g/mol, XLogP of 3.76, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl N-[(2-methyl-1H-indol-3-yl)methyl]carbamate is sourced from PubChem (CID 110782331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).