morpholin-4-yl-(3,4,7-trimethyl-1-benzofuran-2-yl)methanone

C16H19NO3 — CID 166191080

IUPACmorpholin-4-yl-(3,4,7-trimethyl-1-benzofuran-2-yl)methanone
SMILESCc1ccc(C)c2c(C)c(C(=O)N3CCOCC3)oc12
InChIInChI=1S/C16H19NO3/c1-10-4-5-11(2)14-13(10)12(3)15(20-14)16(18)17-6-8-19-9-7-17/h4-5H,6-9H2,1-3H3
InChIKeyCNTFMQJQIVPRCE-UHFFFAOYSA-N
MW273.33 g/mol
LogP2.83
Rot. Bonds1

About morpholin-4-yl-(3,4,7-trimethyl-1-benzofuran-2-yl)methanone

morpholin-4-yl-(3,4,7-trimethyl-1-benzofuran-2-yl)methanone (PubChem CID 166191080) has the molecular formula C16H19NO3 and a molecular weight of 273.33 g/mol. Its IUPAC name is morpholin-4-yl-(3,4,7-trimethyl-1-benzofuran-2-yl)methanone.

Molecular Properties

Compound Namemorpholin-4-yl-(3,4,7-trimethyl-1-benzofuran-2-yl)methanone
PubChem CID166191080
Molecular FormulaC16H19NO3
Molecular Weight273.33 g/mol
Exact Mass273.14
IUPAC Namemorpholin-4-yl-(3,4,7-trimethyl-1-benzofuran-2-yl)methanone
SMILESCc1ccc(C)c2c(C)c(C(=O)N3CCOCC3)oc12
InChIInChI=1S/C16H19NO3/c1-10-4-5-11(2)14-13(10)12(3)15(20-14)16(18)17-6-8-19-9-7-17/h4-5H,6-9H2,1-3H3
InChIKeyCNTFMQJQIVPRCE-UHFFFAOYSA-N
XLogP2.83
TPSA42.68 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.33
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(4-methylsulfonylpiperazin-1-yl)-(3,4,7-trimethyl-1-benzofuran-2-yl)methanone
CID 47071501
2-[4-(3,4,7-trimethyl-1-benzofuran-2-carbonyl)morpholin-2-yl]acetic acid
CID 119248212
(3S)-1-(3,4,7-trimethyl-1-benzofuran-2-carbonyl)pyrrolidine-3-carboxamide
CID 94649811
[4-(cyclopropylmethylamino)piperidin-1-yl]-(3,4,7-trimethyl-1-benzofuran-2-yl)methanone;hydrochloride
CID 119625360
3-methyl-2-[4-(3,4,7-trimethyl-1-benzofuran-2-carbonyl)piperazin-1-yl]butanenitrile
CID 56586204
[3-(difluoromethyl)-3-hydroxypyrrolidin-1-yl]-(3,4,7-trimethyl-1-benzofuran-2-yl)methanone
CID 129009182
[3-hydroxy-3-(methoxymethyl)azetidin-1-yl]-(3,4,7-trimethyl-1-benzofuran-2-yl)methanone
CID 122151857
ethyl (2S)-2-fluoro-2-[1-(3,4,7-trimethyl-1-benzofuran-2-carbonyl)azetidin-3-yl]acetate
CID 125144131
[(3S)-3-(1,2,4-triazol-1-yl)piperidin-1-yl]-(3,4,7-trimethyl-1-benzofuran-2-yl)methanone
CID 95736616
N-(3-fluoro-4-methylphenyl)-3,5,6-trimethyl-2-(morpholine-4-carbonyl)-1-benzofuran-7-sulfonamide
CID 53105283
[5-(morpholine-4-carbonyl)furan-2-yl]-morpholin-4-ylmethanone
CID 165349427
(5,7-dibromo-6-methoxy-3-methyl-1-benzofuran-2-yl)-morpholin-4-ylmethanone
CID 1068862

Frequently Asked Questions

What is the IUPAC name of morpholin-4-yl-(3,4,7-trimethyl-1-benzofuran-2-yl)methanone?
The IUPAC name of morpholin-4-yl-(3,4,7-trimethyl-1-benzofuran-2-yl)methanone (CID 166191080) is morpholin-4-yl-(3,4,7-trimethyl-1-benzofuran-2-yl)methanone.
What is the SMILES notation for morpholin-4-yl-(3,4,7-trimethyl-1-benzofuran-2-yl)methanone?
The canonical SMILES for morpholin-4-yl-(3,4,7-trimethyl-1-benzofuran-2-yl)methanone is Cc1ccc(C)c2c(C)c(C(=O)N3CCOCC3)oc12.
What is the InChIKey of morpholin-4-yl-(3,4,7-trimethyl-1-benzofuran-2-yl)methanone?
The InChIKey is CNTFMQJQIVPRCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO3/c1-10-4-5-11(2)14-13(10)12(3)15(20-14)16(18)17-6-8-19-9-7-17/h4-5H,6-9H2,1-3H3.
What are the key properties of morpholin-4-yl-(3,4,7-trimethyl-1-benzofuran-2-yl)methanone?
morpholin-4-yl-(3,4,7-trimethyl-1-benzofuran-2-yl)methanone has a molecular weight of 273.33 g/mol, XLogP of 2.83, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for morpholin-4-yl-(3,4,7-trimethyl-1-benzofuran-2-yl)methanone is sourced from PubChem (CID 166191080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).