N-[[1-(morpholin-4-ylmethyl)cyclopropyl]methyl]-4-propan-2-yloxy-1-benzofuran-6-carboxamide

C21H28N2O4 — CID 91957367

IUPACN-[[1-(morpholin-4-ylmethyl)cyclopropyl]methyl]-4-propan-2-yloxy-1-benzofuran-6-carboxamide
SMILESCC(C)Oc1cc(C(=O)NCC2(CN3CCOCC3)CC2)cc2occc12
InChIInChI=1S/C21H28N2O4/c1-15(2)27-19-12-16(11-18-17(19)3-8-26-18)20(24)22-13-21(4-5-21)14-23-6-9-25-10-7-23/h3,8,11-12,15H,4-7,9-10,13-14H2,1-2H3,(H,22,24)
InChIKeyXJACKDYQCURQER-UHFFFAOYSA-N
MW372.47 g/mol
LogP3.06
Rot. Bonds7

About N-[[1-(morpholin-4-ylmethyl)cyclopropyl]methyl]-4-propan-2-yloxy-1-benzofuran-6-carboxamide

N-[[1-(morpholin-4-ylmethyl)cyclopropyl]methyl]-4-propan-2-yloxy-1-benzofuran-6-carboxamide (PubChem CID 91957367) has the molecular formula C21H28N2O4 and a molecular weight of 372.47 g/mol. Its IUPAC name is N-[[1-(morpholin-4-ylmethyl)cyclopropyl]methyl]-4-propan-2-yloxy-1-benzofuran-6-carboxamide.

Molecular Properties

Compound NameN-[[1-(morpholin-4-ylmethyl)cyclopropyl]methyl]-4-propan-2-yloxy-1-benzofuran-6-carboxamide
PubChem CID91957367
Molecular FormulaC21H28N2O4
Molecular Weight372.47 g/mol
Exact Mass372.20
IUPAC NameN-[[1-(morpholin-4-ylmethyl)cyclopropyl]methyl]-4-propan-2-yloxy-1-benzofuran-6-carboxamide
SMILESCC(C)Oc1cc(C(=O)NCC2(CN3CCOCC3)CC2)cc2occc12
InChIInChI=1S/C21H28N2O4/c1-15(2)27-19-12-16(11-18-17(19)3-8-26-18)20(24)22-13-21(4-5-21)14-23-6-9-25-10-7-23/h3,8,11-12,15H,4-7,9-10,13-14H2,1-2H3,(H,22,24)
InChIKeyXJACKDYQCURQER-UHFFFAOYSA-N
XLogP3.06
TPSA63.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.47
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[[1-(morpholin-4-ylmethyl)cyclopropyl]methyl]-4-propan-2-yloxy-1-benzofuran-6-carboxamide?
The IUPAC name of N-[[1-(morpholin-4-ylmethyl)cyclopropyl]methyl]-4-propan-2-yloxy-1-benzofuran-6-carboxamide (CID 91957367) is N-[[1-(morpholin-4-ylmethyl)cyclopropyl]methyl]-4-propan-2-yloxy-1-benzofuran-6-carboxamide.
What is the SMILES notation for N-[[1-(morpholin-4-ylmethyl)cyclopropyl]methyl]-4-propan-2-yloxy-1-benzofuran-6-carboxamide?
The canonical SMILES for N-[[1-(morpholin-4-ylmethyl)cyclopropyl]methyl]-4-propan-2-yloxy-1-benzofuran-6-carboxamide is CC(C)Oc1cc(C(=O)NCC2(CN3CCOCC3)CC2)cc2occc12.
What is the InChIKey of N-[[1-(morpholin-4-ylmethyl)cyclopropyl]methyl]-4-propan-2-yloxy-1-benzofuran-6-carboxamide?
The InChIKey is XJACKDYQCURQER-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N2O4/c1-15(2)27-19-12-16(11-18-17(19)3-8-26-18)20(24)22-13-21(4-5-21)14-23-6-9-25-10-7-23/h3,8,11-12,15H,4-7,9-10,13-14H2,1-2H3,(H,22,24).
What are the key properties of N-[[1-(morpholin-4-ylmethyl)cyclopropyl]methyl]-4-propan-2-yloxy-1-benzofuran-6-carboxamide?
N-[[1-(morpholin-4-ylmethyl)cyclopropyl]methyl]-4-propan-2-yloxy-1-benzofuran-6-carboxamide has a molecular weight of 372.47 g/mol, XLogP of 3.06, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(morpholin-4-ylmethyl)cyclopropyl]methyl]-4-propan-2-yloxy-1-benzofuran-6-carboxamide is sourced from PubChem (CID 91957367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).