1-[(3R)-5,6-dimethyl-2,3-dihydro-1-benzofuran-3-carbonyl]-N-ethylazetidine-3-carboxamide

C17H22N2O3 — CID 124618490

IUPAC1-[(3R)-5,6-dimethyl-2,3-dihydro-1-benzofuran-3-carbonyl]-N-ethylazetidine-3-carboxamide
SMILESCCNC(=O)C1CN(C(=O)[C@H]2COc3cc(C)c(C)cc32)C1
InChIInChI=1S/C17H22N2O3/c1-4-18-16(20)12-7-19(8-12)17(21)14-9-22-15-6-11(3)10(2)5-13(14)15/h5-6,12,14H,4,7-9H2,1-3H3,(H,18,20)/t14-/m0/s1
InChIKeyFQPSEAPULFJTCF-AWEZNQCLSA-N
MW302.37 g/mol
LogP1.37
Rot. Bonds3

About 1-[(3R)-5,6-dimethyl-2,3-dihydro-1-benzofuran-3-carbonyl]-N-ethylazetidine-3-carboxamide

1-[(3R)-5,6-dimethyl-2,3-dihydro-1-benzofuran-3-carbonyl]-N-ethylazetidine-3-carboxamide (PubChem CID 124618490) has the molecular formula C17H22N2O3 and a molecular weight of 302.37 g/mol. Its IUPAC name is 1-[(3R)-5,6-dimethyl-2,3-dihydro-1-benzofuran-3-carbonyl]-N-ethylazetidine-3-carboxamide.

Molecular Properties

Compound Name1-[(3R)-5,6-dimethyl-2,3-dihydro-1-benzofuran-3-carbonyl]-N-ethylazetidine-3-carboxamide
PubChem CID124618490
Molecular FormulaC17H22N2O3
Molecular Weight302.37 g/mol
Exact Mass302.16
IUPAC Name1-[(3R)-5,6-dimethyl-2,3-dihydro-1-benzofuran-3-carbonyl]-N-ethylazetidine-3-carboxamide
SMILESCCNC(=O)C1CN(C(=O)[C@H]2COc3cc(C)c(C)cc32)C1
InChIInChI=1S/C17H22N2O3/c1-4-18-16(20)12-7-19(8-12)17(21)14-9-22-15-6-11(3)10(2)5-13(14)15/h5-6,12,14H,4,7-9H2,1-3H3,(H,18,20)/t14-/m0/s1
InChIKeyFQPSEAPULFJTCF-AWEZNQCLSA-N
XLogP1.37
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.37
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-[(3R)-5,6-dimethyl-2,3-dihydro-1-benzofuran-3-carbonyl]-N-ethylazetidine-3-carboxamide with MolForge

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Related Compounds

(3S)-5,6-dimethyl-2,3-dihydro-1-benzofuran-3-carboxylic acid
CID 97028374
methyl (E)-4-[(5,6-dimethyl-2,3-dihydro-1-benzofuran-3-carbonyl)amino]but-2-enoate
CID 146141922
(3S)-N-[(5-cyclobutyl-4-methyl-1,2,4-triazol-3-yl)methyl]-5,6-dimethyl-2,3-dihydro-1-benzofuran-3-carboxamide
CID 124618645
5-(5,6-dimethyl-2,3-dihydro-1-benzofuran-3-carbonyl)-1-piperidin-4-yl-3,3a,4,6,7,7a-hexahydroimidazo[4,5-c]pyridin-2-one
CID 128879962
(3S)-N-(1-carbamoylcyclopropyl)-5,6-dimethyl-2,3-dihydro-1-benzofuran-3-carboxamide
CID 129398875
N-(6-aminospiro[3.3]heptan-2-yl)-5,6-dimethyl-2,3-dihydro-1-benzofuran-3-carboxamide;hydrochloride
CID 154577851
(3S)-5,6-dimethyl-N-(4-pyrazol-1-ylpyrimidin-5-yl)-2,3-dihydro-1-benzofuran-3-carboxamide
CID 124618677
N-ethyl-3,4-dihydro-2H-chromene-3-carboxamide
CID 42891679
1-[2-(4-bromophenyl)-2-hydroxyacetyl]-N-ethylazetidine-3-carboxamide
CID 75436935
[2-(aminomethyl)-6-methylmorpholin-4-yl]-(2,3-dihydro-1-benzofuran-3-yl)methanone
CID 102938360
4-[(5,6-dimethyl-2,3-dihydro-1-benzofuran-3-carbonyl)amino]-2-fluoro-3-methoxybenzoic acid
CID 167752998
[(3R)-2,3-dihydro-1-benzofuran-3-yl]-[(3R)-3-methylpiperazin-1-yl]methanone
CID 124512887

Frequently Asked Questions

What is the IUPAC name of 1-[(3R)-5,6-dimethyl-2,3-dihydro-1-benzofuran-3-carbonyl]-N-ethylazetidine-3-carboxamide?
The IUPAC name of 1-[(3R)-5,6-dimethyl-2,3-dihydro-1-benzofuran-3-carbonyl]-N-ethylazetidine-3-carboxamide (CID 124618490) is 1-[(3R)-5,6-dimethyl-2,3-dihydro-1-benzofuran-3-carbonyl]-N-ethylazetidine-3-carboxamide.
What is the SMILES notation for 1-[(3R)-5,6-dimethyl-2,3-dihydro-1-benzofuran-3-carbonyl]-N-ethylazetidine-3-carboxamide?
The canonical SMILES for 1-[(3R)-5,6-dimethyl-2,3-dihydro-1-benzofuran-3-carbonyl]-N-ethylazetidine-3-carboxamide is CCNC(=O)C1CN(C(=O)[C@H]2COc3cc(C)c(C)cc32)C1.
What is the InChIKey of 1-[(3R)-5,6-dimethyl-2,3-dihydro-1-benzofuran-3-carbonyl]-N-ethylazetidine-3-carboxamide?
The InChIKey is FQPSEAPULFJTCF-AWEZNQCLSA-N. The full InChI is InChI=1S/C17H22N2O3/c1-4-18-16(20)12-7-19(8-12)17(21)14-9-22-15-6-11(3)10(2)5-13(14)15/h5-6,12,14H,4,7-9H2,1-3H3,(H,18,20)/t14-/m0/s1.
What are the key properties of 1-[(3R)-5,6-dimethyl-2,3-dihydro-1-benzofuran-3-carbonyl]-N-ethylazetidine-3-carboxamide?
1-[(3R)-5,6-dimethyl-2,3-dihydro-1-benzofuran-3-carbonyl]-N-ethylazetidine-3-carboxamide has a molecular weight of 302.37 g/mol, XLogP of 1.37, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3R)-5,6-dimethyl-2,3-dihydro-1-benzofuran-3-carbonyl]-N-ethylazetidine-3-carboxamide is sourced from PubChem (CID 124618490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).