ethyl N-[(1S,2S)-6-methoxy-1-phenyl-2,3-dihydro-1H-inden-2-yl]carbamate

C19H21NO3 — CID 10567004

IUPACethyl N-[(1S,2S)-6-methoxy-1-phenyl-2,3-dihydro-1H-inden-2-yl]carbamate
SMILESCCOC(=O)N[C@H]1Cc2ccc(OC)cc2[C@@H]1c1ccccc1
InChIInChI=1S/C19H21NO3/c1-3-23-19(21)20-17-11-14-9-10-15(22-2)12-16(14)18(17)13-7-5-4-6-8-13/h4-10,12,17-18H,3,11H2,1-2H3,(H,20,21)/t17-,18-/m0/s1
InChIKeyCUFAPZLFQJZASL-ROUUACIJSA-N
MW311.38 g/mol
LogP3.50
Rot. Bonds4

About ethyl N-[(1S,2S)-6-methoxy-1-phenyl-2,3-dihydro-1H-inden-2-yl]carbamate

ethyl N-[(1S,2S)-6-methoxy-1-phenyl-2,3-dihydro-1H-inden-2-yl]carbamate (PubChem CID 10567004) has the molecular formula C19H21NO3 and a molecular weight of 311.38 g/mol. Its IUPAC name is ethyl N-[(1S,2S)-6-methoxy-1-phenyl-2,3-dihydro-1H-inden-2-yl]carbamate.

Molecular Properties

Compound Nameethyl N-[(1S,2S)-6-methoxy-1-phenyl-2,3-dihydro-1H-inden-2-yl]carbamate
PubChem CID10567004
Molecular FormulaC19H21NO3
Molecular Weight311.38 g/mol
Exact Mass311.15
IUPAC Nameethyl N-[(1S,2S)-6-methoxy-1-phenyl-2,3-dihydro-1H-inden-2-yl]carbamate
SMILESCCOC(=O)N[C@H]1Cc2ccc(OC)cc2[C@@H]1c1ccccc1
InChIInChI=1S/C19H21NO3/c1-3-23-19(21)20-17-11-14-9-10-15(22-2)12-16(14)18(17)13-7-5-4-6-8-13/h4-10,12,17-18H,3,11H2,1-2H3,(H,20,21)/t17-,18-/m0/s1
InChIKeyCUFAPZLFQJZASL-ROUUACIJSA-N
XLogP3.50
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.38
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1S,2S)-6-methoxy-N-methyl-1-phenyl-2,3-dihydro-1H-inden-2-amine
CID 10562844
ethyl (1R,2R)-7-methoxy-1-phenyl-1,2,3,4-tetrahydronaphthalene-2-carboxylate
CID 10542989
ethyl N-(5-methoxy-3-oxo-1,2-dihydroinden-2-yl)carbamate
CID 66741339
ethyl 7-methoxy-1-phenyl-3,4-dihydro-1H-isoquinoline-2-carboxylate
CID 110289304
1-[(1S,2S)-5-methoxy-1-phenyl-2,3-dihydro-1H-inden-2-yl]-3-[(1R)-1-naphthalen-1-ylethyl]urea
CID 10599062
ethyl (3Z)-3-(1-hydroxyethylidene)-5-methoxy-1-phenyl-1,2-dihydroindene-2-carboxylate
CID 143123781
2-bromo-N-[2-(7-methoxy-3-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl)ethyl]acetamide
CID 44582885
ethyl N-[(1-benzyl-6-hydroxy-2,3-dihydro-1H-inden-2-yl)amino]carbamate
CID 174697880
(1R,2R)-6-methoxy-1-phenyl-N-(1,3-thiazol-2-yl)-2,3-dihydro-1H-indene-2-carboxamide
CID 87668394
ethyl N-[(1R,2S)-1-(4-chlorophenyl)sulfanyl-2,3-dihydro-1H-inden-2-yl]carbamate
CID 7032953
N-[2-[(1S,3S)-7-methoxy-3-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl]ethyl]cyclobutanecarboxamide
CID 102013000
ethyl 2-[(1R,3R)-1-hydroxy-3-(phenylmethoxycarbonylamino)-1,2,3,4-tetrahydronaphthalen-2-yl]acetate
CID 91608810

Frequently Asked Questions

What is the IUPAC name of ethyl N-[(1S,2S)-6-methoxy-1-phenyl-2,3-dihydro-1H-inden-2-yl]carbamate?
The IUPAC name of ethyl N-[(1S,2S)-6-methoxy-1-phenyl-2,3-dihydro-1H-inden-2-yl]carbamate (CID 10567004) is ethyl N-[(1S,2S)-6-methoxy-1-phenyl-2,3-dihydro-1H-inden-2-yl]carbamate.
What is the SMILES notation for ethyl N-[(1S,2S)-6-methoxy-1-phenyl-2,3-dihydro-1H-inden-2-yl]carbamate?
The canonical SMILES for ethyl N-[(1S,2S)-6-methoxy-1-phenyl-2,3-dihydro-1H-inden-2-yl]carbamate is CCOC(=O)N[C@H]1Cc2ccc(OC)cc2[C@@H]1c1ccccc1.
What is the InChIKey of ethyl N-[(1S,2S)-6-methoxy-1-phenyl-2,3-dihydro-1H-inden-2-yl]carbamate?
The InChIKey is CUFAPZLFQJZASL-ROUUACIJSA-N. The full InChI is InChI=1S/C19H21NO3/c1-3-23-19(21)20-17-11-14-9-10-15(22-2)12-16(14)18(17)13-7-5-4-6-8-13/h4-10,12,17-18H,3,11H2,1-2H3,(H,20,21)/t17-,18-/m0/s1.
What are the key properties of ethyl N-[(1S,2S)-6-methoxy-1-phenyl-2,3-dihydro-1H-inden-2-yl]carbamate?
ethyl N-[(1S,2S)-6-methoxy-1-phenyl-2,3-dihydro-1H-inden-2-yl]carbamate has a molecular weight of 311.38 g/mol, XLogP of 3.50, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[(1S,2S)-6-methoxy-1-phenyl-2,3-dihydro-1H-inden-2-yl]carbamate is sourced from PubChem (CID 10567004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).