acetic acid;2-(4,6-dimethyl-1-benzofuran-3-yl)-N-[(3S,4S)-4-methoxypyrrolidin-3-yl]acetamide

C19H26N2O5 — CID 154907525

IUPACacetic acid;2-(4,6-dimethyl-1-benzofuran-3-yl)-N-[(3S,4S)-4-methoxypyrrolidin-3-yl]acetamide
SMILESCC(=O)O.CO[C@H]1CNC[C@@H]1NC(=O)Cc1coc2cc(C)cc(C)c12
InChIInChI=1S/C17H22N2O3.C2H4O2/c1-10-4-11(2)17-12(9-22-14(17)5-10)6-16(20)19-13-7-18-8-15(13)21-3;1-2(3)4/h4-5,9,13,15,18H,6-8H2,1-3H3,(H,19,20);1H3,(H,3,4)/t13-,15-;/m0./s1
InChIKeyDYQRZTCDTAJKOE-SLHAJLBXSA-N
MW362.43 g/mol
LogP1.79
Rot. Bonds4

About acetic acid;2-(4,6-dimethyl-1-benzofuran-3-yl)-N-[(3S,4S)-4-methoxypyrrolidin-3-yl]acetamide

acetic acid;2-(4,6-dimethyl-1-benzofuran-3-yl)-N-[(3S,4S)-4-methoxypyrrolidin-3-yl]acetamide (PubChem CID 154907525) has the molecular formula C19H26N2O5 and a molecular weight of 362.43 g/mol. Its IUPAC name is acetic acid;2-(4,6-dimethyl-1-benzofuran-3-yl)-N-[(3S,4S)-4-methoxypyrrolidin-3-yl]acetamide.

Molecular Properties

Compound Nameacetic acid;2-(4,6-dimethyl-1-benzofuran-3-yl)-N-[(3S,4S)-4-methoxypyrrolidin-3-yl]acetamide
PubChem CID154907525
Molecular FormulaC19H26N2O5
Molecular Weight362.43 g/mol
Exact Mass362.18
IUPAC Nameacetic acid;2-(4,6-dimethyl-1-benzofuran-3-yl)-N-[(3S,4S)-4-methoxypyrrolidin-3-yl]acetamide
SMILESCC(=O)O.CO[C@H]1CNC[C@@H]1NC(=O)Cc1coc2cc(C)cc(C)c12
InChIInChI=1S/C17H22N2O3.C2H4O2/c1-10-4-11(2)17-12(9-22-14(17)5-10)6-16(20)19-13-7-18-8-15(13)21-3;1-2(3)4/h4-5,9,13,15,18H,6-8H2,1-3H3,(H,19,20);1H3,(H,3,4)/t13-,15-;/m0./s1
InChIKeyDYQRZTCDTAJKOE-SLHAJLBXSA-N
XLogP1.79
TPSA100.80 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.43
LogP ≤ 51.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze acetic acid;2-(4,6-dimethyl-1-benzofuran-3-yl)-N-[(3S,4S)-4-methoxypyrrolidin-3-yl]acetamide with MolForge

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Related Compounds

2-(4,6-dimethyl-1-benzofuran-3-yl)-N-[(3S,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]acetamide
CID 134711727
2-(4,6-dimethyl-1-benzofuran-3-yl)acetamide
CID 18871909
2-(4,6-dimethyl-1-benzofuran-3-yl)-N-(2,4-dimethylphenyl)acetamide
CID 5118725
N-[(4S)-4-methoxypyrrolidin-3-yl]-2-pyridin-4-ylacetamide
CID 43594044
2-acetamido-N-(4-methoxypyrrolidin-3-yl)acetamide
CID 74883365
2-acetamido-N-[(4S)-4-methoxypyrrolidin-3-yl]acetamide
CID 43594047
2-(3-chlorophenyl)-N-(4-methoxypyrrolidin-3-yl)acetamide;hydrochloride
CID 136561181
2-(5-chloro-6-methyl-1-benzofuran-3-yl)-N-[(3S,4R)-4-methoxyoxolan-3-yl]acetamide
CID 131938136
1-[(1S,6R)-3,9-diazabicyclo[4.2.1]nonan-9-yl]-2-(4,6-dimethyl-1-benzofuran-3-yl)ethanone;hydrochloride
CID 154901400
2,4-dichloro-N'-[2-(4,6-dimethyl-1-benzofuran-3-yl)acetyl]benzohydrazide
CID 18871928
N-[(3S,4S)-4-methoxypyrrolidin-3-yl]-5-methyl-1,2-oxazole-3-carboxamide
CID 93205481
N-[(4S)-4-methoxypyrrolidin-3-yl]-2,5-dimethylfuran-3-carboxamide
CID 43594107

Frequently Asked Questions

What is the IUPAC name of acetic acid;2-(4,6-dimethyl-1-benzofuran-3-yl)-N-[(3S,4S)-4-methoxypyrrolidin-3-yl]acetamide?
The IUPAC name of acetic acid;2-(4,6-dimethyl-1-benzofuran-3-yl)-N-[(3S,4S)-4-methoxypyrrolidin-3-yl]acetamide (CID 154907525) is acetic acid;2-(4,6-dimethyl-1-benzofuran-3-yl)-N-[(3S,4S)-4-methoxypyrrolidin-3-yl]acetamide.
What is the SMILES notation for acetic acid;2-(4,6-dimethyl-1-benzofuran-3-yl)-N-[(3S,4S)-4-methoxypyrrolidin-3-yl]acetamide?
The canonical SMILES for acetic acid;2-(4,6-dimethyl-1-benzofuran-3-yl)-N-[(3S,4S)-4-methoxypyrrolidin-3-yl]acetamide is CC(=O)O.CO[C@H]1CNC[C@@H]1NC(=O)Cc1coc2cc(C)cc(C)c12.
What is the InChIKey of acetic acid;2-(4,6-dimethyl-1-benzofuran-3-yl)-N-[(3S,4S)-4-methoxypyrrolidin-3-yl]acetamide?
The InChIKey is DYQRZTCDTAJKOE-SLHAJLBXSA-N. The full InChI is InChI=1S/C17H22N2O3.C2H4O2/c1-10-4-11(2)17-12(9-22-14(17)5-10)6-16(20)19-13-7-18-8-15(13)21-3;1-2(3)4/h4-5,9,13,15,18H,6-8H2,1-3H3,(H,19,20);1H3,(H,3,4)/t13-,15-;/m0./s1.
What are the key properties of acetic acid;2-(4,6-dimethyl-1-benzofuran-3-yl)-N-[(3S,4S)-4-methoxypyrrolidin-3-yl]acetamide?
acetic acid;2-(4,6-dimethyl-1-benzofuran-3-yl)-N-[(3S,4S)-4-methoxypyrrolidin-3-yl]acetamide has a molecular weight of 362.43 g/mol, XLogP of 1.79, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for acetic acid;2-(4,6-dimethyl-1-benzofuran-3-yl)-N-[(3S,4S)-4-methoxypyrrolidin-3-yl]acetamide is sourced from PubChem (CID 154907525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).