[3-(propylamino)-2,3-dihydro-1H-inden-5-yl] N-ethyl-N-(hydroxymethyl)carbamate

C16H24N2O3 — CID 143532702

IUPAC[3-(propylamino)-2,3-dihydro-1H-inden-5-yl] N-ethyl-N-(hydroxymethyl)carbamate
SMILESCCCNC1CCc2ccc(OC(=O)N(CC)CO)cc21
InChIInChI=1S/C16H24N2O3/c1-3-9-17-15-8-6-12-5-7-13(10-14(12)15)21-16(20)18(4-2)11-19/h5,7,10,15,17,19H,3-4,6,8-9,11H2,1-2H3
InChIKeyGVHNZOYHTOZSEH-UHFFFAOYSA-N
MW292.38 g/mol
LogP2.44
Rot. Bonds6

About [3-(propylamino)-2,3-dihydro-1H-inden-5-yl] N-ethyl-N-(hydroxymethyl)carbamate

[3-(propylamino)-2,3-dihydro-1H-inden-5-yl] N-ethyl-N-(hydroxymethyl)carbamate (PubChem CID 143532702) has the molecular formula C16H24N2O3 and a molecular weight of 292.38 g/mol. Its IUPAC name is [3-(propylamino)-2,3-dihydro-1H-inden-5-yl] N-ethyl-N-(hydroxymethyl)carbamate.

Molecular Properties

Compound Name[3-(propylamino)-2,3-dihydro-1H-inden-5-yl] N-ethyl-N-(hydroxymethyl)carbamate
PubChem CID143532702
Molecular FormulaC16H24N2O3
Molecular Weight292.38 g/mol
Exact Mass292.18
IUPAC Name[3-(propylamino)-2,3-dihydro-1H-inden-5-yl] N-ethyl-N-(hydroxymethyl)carbamate
SMILESCCCNC1CCc2ccc(OC(=O)N(CC)CO)cc21
InChIInChI=1S/C16H24N2O3/c1-3-9-17-15-8-6-12-5-7-13(10-14(12)15)21-16(20)18(4-2)11-19/h5,7,10,15,17,19H,3-4,6,8-9,11H2,1-2H3
InChIKeyGVHNZOYHTOZSEH-UHFFFAOYSA-N
XLogP2.44
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [3-(propylamino)-2,3-dihydro-1H-inden-5-yl] N-ethyl-N-(hydroxymethyl)carbamate?
The IUPAC name of [3-(propylamino)-2,3-dihydro-1H-inden-5-yl] N-ethyl-N-(hydroxymethyl)carbamate (CID 143532702) is [3-(propylamino)-2,3-dihydro-1H-inden-5-yl] N-ethyl-N-(hydroxymethyl)carbamate.
What is the SMILES notation for [3-(propylamino)-2,3-dihydro-1H-inden-5-yl] N-ethyl-N-(hydroxymethyl)carbamate?
The canonical SMILES for [3-(propylamino)-2,3-dihydro-1H-inden-5-yl] N-ethyl-N-(hydroxymethyl)carbamate is CCCNC1CCc2ccc(OC(=O)N(CC)CO)cc21.
What is the InChIKey of [3-(propylamino)-2,3-dihydro-1H-inden-5-yl] N-ethyl-N-(hydroxymethyl)carbamate?
The InChIKey is GVHNZOYHTOZSEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O3/c1-3-9-17-15-8-6-12-5-7-13(10-14(12)15)21-16(20)18(4-2)11-19/h5,7,10,15,17,19H,3-4,6,8-9,11H2,1-2H3.
What are the key properties of [3-(propylamino)-2,3-dihydro-1H-inden-5-yl] N-ethyl-N-(hydroxymethyl)carbamate?
[3-(propylamino)-2,3-dihydro-1H-inden-5-yl] N-ethyl-N-(hydroxymethyl)carbamate has a molecular weight of 292.38 g/mol, XLogP of 2.44, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(propylamino)-2,3-dihydro-1H-inden-5-yl] N-ethyl-N-(hydroxymethyl)carbamate is sourced from PubChem (CID 143532702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).