N-[2-(2,3-dihydro-1H-inden-2-yl)ethyl]-3-(2-hydroxypropyl)morpholine-4-carboxamide

C19H28N2O3 — CID 75509306

IUPACN-[2-(2,3-dihydro-1H-inden-2-yl)ethyl]-3-(2-hydroxypropyl)morpholine-4-carboxamide
SMILESCC(O)CC1COCCN1C(=O)NCCC1Cc2ccccc2C1
InChIInChI=1S/C19H28N2O3/c1-14(22)10-18-13-24-9-8-21(18)19(23)20-7-6-15-11-16-4-2-3-5-17(16)12-15/h2-5,14-15,18,22H,6-13H2,1H3,(H,20,23)
InChIKeyOVOPFYCDRODISB-UHFFFAOYSA-N
MW332.44 g/mol
LogP1.97
Rot. Bonds5

About N-[2-(2,3-dihydro-1H-inden-2-yl)ethyl]-3-(2-hydroxypropyl)morpholine-4-carboxamide

N-[2-(2,3-dihydro-1H-inden-2-yl)ethyl]-3-(2-hydroxypropyl)morpholine-4-carboxamide (PubChem CID 75509306) has the molecular formula C19H28N2O3 and a molecular weight of 332.44 g/mol. Its IUPAC name is N-[2-(2,3-dihydro-1H-inden-2-yl)ethyl]-3-(2-hydroxypropyl)morpholine-4-carboxamide.

Molecular Properties

Compound NameN-[2-(2,3-dihydro-1H-inden-2-yl)ethyl]-3-(2-hydroxypropyl)morpholine-4-carboxamide
PubChem CID75509306
Molecular FormulaC19H28N2O3
Molecular Weight332.44 g/mol
Exact Mass332.21
IUPAC NameN-[2-(2,3-dihydro-1H-inden-2-yl)ethyl]-3-(2-hydroxypropyl)morpholine-4-carboxamide
SMILESCC(O)CC1COCCN1C(=O)NCCC1Cc2ccccc2C1
InChIInChI=1S/C19H28N2O3/c1-14(22)10-18-13-24-9-8-21(18)19(23)20-7-6-15-11-16-4-2-3-5-17(16)12-15/h2-5,14-15,18,22H,6-13H2,1H3,(H,20,23)
InChIKeyOVOPFYCDRODISB-UHFFFAOYSA-N
XLogP1.97
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.44
LogP ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-(2,3-dihydro-1H-inden-2-yl)ethyl]-3-(2-hydroxypropyl)morpholine-4-carboxamide?
The IUPAC name of N-[2-(2,3-dihydro-1H-inden-2-yl)ethyl]-3-(2-hydroxypropyl)morpholine-4-carboxamide (CID 75509306) is N-[2-(2,3-dihydro-1H-inden-2-yl)ethyl]-3-(2-hydroxypropyl)morpholine-4-carboxamide.
What is the SMILES notation for N-[2-(2,3-dihydro-1H-inden-2-yl)ethyl]-3-(2-hydroxypropyl)morpholine-4-carboxamide?
The canonical SMILES for N-[2-(2,3-dihydro-1H-inden-2-yl)ethyl]-3-(2-hydroxypropyl)morpholine-4-carboxamide is CC(O)CC1COCCN1C(=O)NCCC1Cc2ccccc2C1.
What is the InChIKey of N-[2-(2,3-dihydro-1H-inden-2-yl)ethyl]-3-(2-hydroxypropyl)morpholine-4-carboxamide?
The InChIKey is OVOPFYCDRODISB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2O3/c1-14(22)10-18-13-24-9-8-21(18)19(23)20-7-6-15-11-16-4-2-3-5-17(16)12-15/h2-5,14-15,18,22H,6-13H2,1H3,(H,20,23).
What are the key properties of N-[2-(2,3-dihydro-1H-inden-2-yl)ethyl]-3-(2-hydroxypropyl)morpholine-4-carboxamide?
N-[2-(2,3-dihydro-1H-inden-2-yl)ethyl]-3-(2-hydroxypropyl)morpholine-4-carboxamide has a molecular weight of 332.44 g/mol, XLogP of 1.97, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,3-dihydro-1H-inden-2-yl)ethyl]-3-(2-hydroxypropyl)morpholine-4-carboxamide is sourced from PubChem (CID 75509306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).