N-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-2-methyl-2-(1-methylpyrazol-4-yl)morpholine-4-carboxamide

C20H26N4O3 — CID 136514945

IUPACN-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-2-methyl-2-(1-methylpyrazol-4-yl)morpholine-4-carboxamide
SMILESCn1cc(C2(C)CN(C(=O)NCCc3ccc4c(c3)CCO4)CCO2)cn1
InChIInChI=1S/C20H26N4O3/c1-20(17-12-22-23(2)13-17)14-24(8-10-27-20)19(25)21-7-5-15-3-4-18-16(11-15)6-9-26-18/h3-4,11-13H,5-10,14H2,1-2H3,(H,21,25)
InChIKeyWENOAHRYTWKAKJ-UHFFFAOYSA-N
MW370.45 g/mol
LogP1.85
Rot. Bonds4

About N-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-2-methyl-2-(1-methylpyrazol-4-yl)morpholine-4-carboxamide

N-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-2-methyl-2-(1-methylpyrazol-4-yl)morpholine-4-carboxamide (PubChem CID 136514945) has the molecular formula C20H26N4O3 and a molecular weight of 370.45 g/mol. Its IUPAC name is N-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-2-methyl-2-(1-methylpyrazol-4-yl)morpholine-4-carboxamide.

Molecular Properties

Compound NameN-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-2-methyl-2-(1-methylpyrazol-4-yl)morpholine-4-carboxamide
PubChem CID136514945
Molecular FormulaC20H26N4O3
Molecular Weight370.45 g/mol
Exact Mass370.20
IUPAC NameN-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-2-methyl-2-(1-methylpyrazol-4-yl)morpholine-4-carboxamide
SMILESCn1cc(C2(C)CN(C(=O)NCCc3ccc4c(c3)CCO4)CCO2)cn1
InChIInChI=1S/C20H26N4O3/c1-20(17-12-22-23(2)13-17)14-24(8-10-27-20)19(25)21-7-5-15-3-4-18-16(11-15)6-9-26-18/h3-4,11-13H,5-10,14H2,1-2H3,(H,21,25)
InChIKeyWENOAHRYTWKAKJ-UHFFFAOYSA-N
XLogP1.85
TPSA68.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.45
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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CID 99829015
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Frequently Asked Questions

What is the IUPAC name of N-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-2-methyl-2-(1-methylpyrazol-4-yl)morpholine-4-carboxamide?
The IUPAC name of N-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-2-methyl-2-(1-methylpyrazol-4-yl)morpholine-4-carboxamide (CID 136514945) is N-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-2-methyl-2-(1-methylpyrazol-4-yl)morpholine-4-carboxamide.
What is the SMILES notation for N-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-2-methyl-2-(1-methylpyrazol-4-yl)morpholine-4-carboxamide?
The canonical SMILES for N-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-2-methyl-2-(1-methylpyrazol-4-yl)morpholine-4-carboxamide is Cn1cc(C2(C)CN(C(=O)NCCc3ccc4c(c3)CCO4)CCO2)cn1.
What is the InChIKey of N-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-2-methyl-2-(1-methylpyrazol-4-yl)morpholine-4-carboxamide?
The InChIKey is WENOAHRYTWKAKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O3/c1-20(17-12-22-23(2)13-17)14-24(8-10-27-20)19(25)21-7-5-15-3-4-18-16(11-15)6-9-26-18/h3-4,11-13H,5-10,14H2,1-2H3,(H,21,25).
What are the key properties of N-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-2-methyl-2-(1-methylpyrazol-4-yl)morpholine-4-carboxamide?
N-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-2-methyl-2-(1-methylpyrazol-4-yl)morpholine-4-carboxamide has a molecular weight of 370.45 g/mol, XLogP of 1.85, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-2-methyl-2-(1-methylpyrazol-4-yl)morpholine-4-carboxamide is sourced from PubChem (CID 136514945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).