ethyl N-(1-acetamidospiro[1,3-dihydroindene-2,4'-cyclohexane]-1'-yl)carbamate

C19H26N2O3 — CID 21433609

IUPACethyl N-(1-acetamidospiro[1,3-dihydroindene-2,4'-cyclohexane]-1'-yl)carbamate
SMILESCCOC(=O)NC1CCC2(CC1)Cc1ccccc1C2NC(C)=O
InChIInChI=1S/C19H26N2O3/c1-3-24-18(23)21-15-8-10-19(11-9-15)12-14-6-4-5-7-16(14)17(19)20-13(2)22/h4-7,15,17H,3,8-12H2,1-2H3,(H,20,22)(H,21,23)
InChIKeyNQSIJHBYEPPGQN-UHFFFAOYSA-N
MW330.43 g/mol
LogP3.10
Rot. Bonds3

About ethyl N-(1-acetamidospiro[1,3-dihydroindene-2,4'-cyclohexane]-1'-yl)carbamate

ethyl N-(1-acetamidospiro[1,3-dihydroindene-2,4'-cyclohexane]-1'-yl)carbamate (PubChem CID 21433609) has the molecular formula C19H26N2O3 and a molecular weight of 330.43 g/mol. Its IUPAC name is ethyl N-(1-acetamidospiro[1,3-dihydroindene-2,4'-cyclohexane]-1'-yl)carbamate.

Molecular Properties

Compound Nameethyl N-(1-acetamidospiro[1,3-dihydroindene-2,4'-cyclohexane]-1'-yl)carbamate
PubChem CID21433609
Molecular FormulaC19H26N2O3
Molecular Weight330.43 g/mol
Exact Mass330.19
IUPAC Nameethyl N-(1-acetamidospiro[1,3-dihydroindene-2,4'-cyclohexane]-1'-yl)carbamate
SMILESCCOC(=O)NC1CCC2(CC1)Cc1ccccc1C2NC(C)=O
InChIInChI=1S/C19H26N2O3/c1-3-24-18(23)21-15-8-10-19(11-9-15)12-14-6-4-5-7-16(14)17(19)20-13(2)22/h4-7,15,17H,3,8-12H2,1-2H3,(H,20,22)(H,21,23)
InChIKeyNQSIJHBYEPPGQN-UHFFFAOYSA-N
XLogP3.10
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.43
LogP ≤ 53.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethyl N-(1-acetamidospiro[1,3-dihydroindene-2,4'-cyclohexane]-1'-yl)carbamate?
The IUPAC name of ethyl N-(1-acetamidospiro[1,3-dihydroindene-2,4'-cyclohexane]-1'-yl)carbamate (CID 21433609) is ethyl N-(1-acetamidospiro[1,3-dihydroindene-2,4'-cyclohexane]-1'-yl)carbamate.
What is the SMILES notation for ethyl N-(1-acetamidospiro[1,3-dihydroindene-2,4'-cyclohexane]-1'-yl)carbamate?
The canonical SMILES for ethyl N-(1-acetamidospiro[1,3-dihydroindene-2,4'-cyclohexane]-1'-yl)carbamate is CCOC(=O)NC1CCC2(CC1)Cc1ccccc1C2NC(C)=O.
What is the InChIKey of ethyl N-(1-acetamidospiro[1,3-dihydroindene-2,4'-cyclohexane]-1'-yl)carbamate?
The InChIKey is NQSIJHBYEPPGQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2O3/c1-3-24-18(23)21-15-8-10-19(11-9-15)12-14-6-4-5-7-16(14)17(19)20-13(2)22/h4-7,15,17H,3,8-12H2,1-2H3,(H,20,22)(H,21,23).
What are the key properties of ethyl N-(1-acetamidospiro[1,3-dihydroindene-2,4'-cyclohexane]-1'-yl)carbamate?
ethyl N-(1-acetamidospiro[1,3-dihydroindene-2,4'-cyclohexane]-1'-yl)carbamate has a molecular weight of 330.43 g/mol, XLogP of 3.10, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-(1-acetamidospiro[1,3-dihydroindene-2,4'-cyclohexane]-1'-yl)carbamate is sourced from PubChem (CID 21433609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).