3-methyl-N-morpholin-4-ylbenzo[g][1]benzofuran-2-carboxamide

C18H18N2O3 — CID 2492562

IUPAC3-methyl-N-morpholin-4-ylbenzo[g][1]benzofuran-2-carboxamide
SMILESCc1c(C(=O)NN2CCOCC2)oc2c1ccc1ccccc12
InChIInChI=1S/C18H18N2O3/c1-12-14-7-6-13-4-2-3-5-15(13)17(14)23-16(12)18(21)19-20-8-10-22-11-9-20/h2-7H,8-11H2,1H3,(H,19,21)
InChIKeyHPOSIHYTEDQDFU-UHFFFAOYSA-N
MW310.35 g/mol
LogP2.87
Rot. Bonds2

About 3-methyl-N-morpholin-4-ylbenzo[g][1]benzofuran-2-carboxamide

3-methyl-N-morpholin-4-ylbenzo[g][1]benzofuran-2-carboxamide (PubChem CID 2492562) has the molecular formula C18H18N2O3 and a molecular weight of 310.35 g/mol. Its IUPAC name is 3-methyl-N-morpholin-4-ylbenzo[g][1]benzofuran-2-carboxamide.

Molecular Properties

Compound Name3-methyl-N-morpholin-4-ylbenzo[g][1]benzofuran-2-carboxamide
PubChem CID2492562
Molecular FormulaC18H18N2O3
Molecular Weight310.35 g/mol
Exact Mass310.13
IUPAC Name3-methyl-N-morpholin-4-ylbenzo[g][1]benzofuran-2-carboxamide
SMILESCc1c(C(=O)NN2CCOCC2)oc2c1ccc1ccccc12
InChIInChI=1S/C18H18N2O3/c1-12-14-7-6-13-4-2-3-5-15(13)17(14)23-16(12)18(21)19-20-8-10-22-11-9-20/h2-7H,8-11H2,1H3,(H,19,21)
InChIKeyHPOSIHYTEDQDFU-UHFFFAOYSA-N
XLogP2.87
TPSA54.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.35
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Hdac3-IN-8
CID 166628045
N'-(1-naphthylmethylene)-1-benzofuran-2-carbohydrazide
CID 6873935
(4-Benzylpiperazin-1-yl)(3,5,6-trimethyl-1-benzofuran-2-yl)methanone
CID 1034152
2-Benzofurancarboxamide,3-methyl-N-4-morpholinyl-(9CI)
CID 1246938
N'-[2-(4,6-dimethyl-1-benzofuran-3-yl)acetyl]benzohydrazide
CID 2982934
Naphtho[2,1-b]furan-2-yl(piperidin-1-yl)methanone
CID 2987801
5-(Naphthalen-1-yloxymethyl)furan-2-carbohydrazide
CID 3791373
N-(2,6-dimethylpiperidin-1-yl)-5-ethoxy-3-methyl-1-benzofuran-2-carboxamide
CID 4877347
(4-Methylpiperidin-1-yl)(naphtho[2,1-b]furan-2-yl)methanone
CID 6460594
Naphtho[2,1-b]furan-2-carbohydrazide
CID 2764524
Ethyl 1-(naphtho[2,1-b]furan-2-ylcarbonyl)piperidine-4-carboxylate
CID 6459167
N'-(3-phenyl-2-propenylidene)naphtho[2,1-b]furan-2-carbohydrazide
CID 6876234

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-morpholin-4-ylbenzo[g][1]benzofuran-2-carboxamide?
The IUPAC name of 3-methyl-N-morpholin-4-ylbenzo[g][1]benzofuran-2-carboxamide (CID 2492562) is 3-methyl-N-morpholin-4-ylbenzo[g][1]benzofuran-2-carboxamide.
What is the SMILES notation for 3-methyl-N-morpholin-4-ylbenzo[g][1]benzofuran-2-carboxamide?
The canonical SMILES for 3-methyl-N-morpholin-4-ylbenzo[g][1]benzofuran-2-carboxamide is Cc1c(C(=O)NN2CCOCC2)oc2c1ccc1ccccc12.
What is the InChIKey of 3-methyl-N-morpholin-4-ylbenzo[g][1]benzofuran-2-carboxamide?
The InChIKey is HPOSIHYTEDQDFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O3/c1-12-14-7-6-13-4-2-3-5-15(13)17(14)23-16(12)18(21)19-20-8-10-22-11-9-20/h2-7H,8-11H2,1H3,(H,19,21).
What are the key properties of 3-methyl-N-morpholin-4-ylbenzo[g][1]benzofuran-2-carboxamide?
3-methyl-N-morpholin-4-ylbenzo[g][1]benzofuran-2-carboxamide has a molecular weight of 310.35 g/mol, XLogP of 2.87, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-morpholin-4-ylbenzo[g][1]benzofuran-2-carboxamide is sourced from PubChem (CID 2492562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).