ethyl N-[(1-methyl-2,3-dihydroindol-5-yl)methyl]carbamate

C13H18N2O2 — CID 110479362

IUPACethyl N-[(1-methyl-2,3-dihydroindol-5-yl)methyl]carbamate
SMILESCCOC(=O)NCc1ccc2c(c1)CCN2C
InChIInChI=1S/C13H18N2O2/c1-3-17-13(16)14-9-10-4-5-12-11(8-10)6-7-15(12)2/h4-5,8H,3,6-7,9H2,1-2H3,(H,14,16)
InChIKeyUTUYIRBNICKRAT-UHFFFAOYSA-N
MW234.30 g/mol
LogP1.92
Rot. Bonds3

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

ethyl N-[(1-methyl-2,3-dihydroindol-5-yl)methyl]carbamate (PubChem CID 110479362) has the molecular formula C13H18N2O2 and a molecular weight of 234.30 g/mol. Its IUPAC name is ethyl N-[(1-methyl-2,3-dihydroindol-5-yl)methyl]carbamate.

Molecular Properties

Compound Nameethyl N-[(1-methyl-2,3-dihydroindol-5-yl)methyl]carbamate
PubChem CID110479362
Molecular FormulaC13H18N2O2
Molecular Weight234.30 g/mol
Exact Mass234.14
IUPAC Nameethyl N-[(1-methyl-2,3-dihydroindol-5-yl)methyl]carbamate
SMILESCCOC(=O)NCc1ccc2c(c1)CCN2C
InChIInChI=1S/C13H18N2O2/c1-3-17-13(16)14-9-10-4-5-12-11(8-10)6-7-15(12)2/h4-5,8H,3,6-7,9H2,1-2H3,(H,14,16)
InChIKeyUTUYIRBNICKRAT-UHFFFAOYSA-N
XLogP1.92
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-ethyl-N-[(1-methyl-2,3-dihydroindol-5-yl)methyl]butanamide
CID 110481403
N-[(1-methyl-2,3-dihydroindol-5-yl)methyl]-2-phenylacetamide
CID 110483038
N-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]propanamide
CID 51099812
(2S)-2-amino-4-methyl-N-[(1-methyl-2,3-dihydroindol-5-yl)methyl]pentanamide
CID 110482520
ethyl 4-[N'-methyl-N-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]carbamimidoyl]piperazine-1-carboxylate;hydroiodide
CID 111164274
N-[(1-methyl-2,3-dihydroindol-5-yl)methyl]furan-2-carboxamide
CID 110481071
N-methoxy-1-(1-methyl-2,3-dihydroindol-5-yl)methanamine
CID 82706033
ethyl N-(3,4-dihydro-2H-thiochromen-6-ylmethyl)carbamate
CID 110786963
1-amino-3-(1-methyl-2,3-dihydroindol-5-yl)propan-2-one
CID 82506730
1,1-dimethyl-3-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]urea
CID 110478717
2-[(1-methyl-2,3-dihydroindol-5-yl)methylamino]propanoic acid
CID 62096350
ethyl 2-[(1-propanoyl-2,3-dihydroindol-5-yl)methylcarbamoylamino]acetate
CID 53090008

Frequently Asked Questions

What is the IUPAC name of ethyl N-[(1-methyl-2,3-dihydroindol-5-yl)methyl]carbamate?
The IUPAC name of ethyl N-[(1-methyl-2,3-dihydroindol-5-yl)methyl]carbamate (CID 110479362) is ethyl N-[(1-methyl-2,3-dihydroindol-5-yl)methyl]carbamate.
What is the SMILES notation for ethyl N-[(1-methyl-2,3-dihydroindol-5-yl)methyl]carbamate?
The canonical SMILES for ethyl N-[(1-methyl-2,3-dihydroindol-5-yl)methyl]carbamate is CCOC(=O)NCc1ccc2c(c1)CCN2C.
What is the InChIKey of ethyl N-[(1-methyl-2,3-dihydroindol-5-yl)methyl]carbamate?
The InChIKey is UTUYIRBNICKRAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O2/c1-3-17-13(16)14-9-10-4-5-12-11(8-10)6-7-15(12)2/h4-5,8H,3,6-7,9H2,1-2H3,(H,14,16).
What are the key properties of ethyl N-[(1-methyl-2,3-dihydroindol-5-yl)methyl]carbamate?
ethyl N-[(1-methyl-2,3-dihydroindol-5-yl)methyl]carbamate has a molecular weight of 234.30 g/mol, XLogP of 1.92, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[(1-methyl-2,3-dihydroindol-5-yl)methyl]carbamate is sourced from PubChem (CID 110479362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).