N-[(2-methoxyphenyl)methyl]-2-[(2S)-2-methyl-2,3-dihydro-1-benzofuran-5-yl]-N-(pyridin-3-ylmethyl)acetamide

C25H26N2O3 — CID 92584798

IUPACN-[(2-methoxyphenyl)methyl]-2-[(2S)-2-methyl-2,3-dihydro-1-benzofuran-5-yl]-N-(pyridin-3-ylmethyl)acetamide
SMILESCOc1ccccc1CN(Cc1cccnc1)C(=O)Cc1ccc2c(c1)C[C@H](C)O2
InChIInChI=1S/C25H26N2O3/c1-18-12-22-13-19(9-10-24(22)30-18)14-25(28)27(16-20-6-5-11-26-15-20)17-21-7-3-4-8-23(21)29-2/h3-11,13,15,18H,12,14,16-17H2,1-2H3/t18-/m0/s1
InChIKeyAKORCEHCYGOOTA-SFHVURJKSA-N
MW402.49 g/mol
LogP4.19
Rot. Bonds7

About N-[(2-methoxyphenyl)methyl]-2-[(2S)-2-methyl-2,3-dihydro-1-benzofuran-5-yl]-N-(pyridin-3-ylmethyl)acetamide

N-[(2-methoxyphenyl)methyl]-2-[(2S)-2-methyl-2,3-dihydro-1-benzofuran-5-yl]-N-(pyridin-3-ylmethyl)acetamide (PubChem CID 92584798) has the molecular formula C25H26N2O3 and a molecular weight of 402.49 g/mol. Its IUPAC name is N-[(2-methoxyphenyl)methyl]-2-[(2S)-2-methyl-2,3-dihydro-1-benzofuran-5-yl]-N-(pyridin-3-ylmethyl)acetamide.

Molecular Properties

Compound NameN-[(2-methoxyphenyl)methyl]-2-[(2S)-2-methyl-2,3-dihydro-1-benzofuran-5-yl]-N-(pyridin-3-ylmethyl)acetamide
PubChem CID92584798
Molecular FormulaC25H26N2O3
Molecular Weight402.49 g/mol
Exact Mass402.19
IUPAC NameN-[(2-methoxyphenyl)methyl]-2-[(2S)-2-methyl-2,3-dihydro-1-benzofuran-5-yl]-N-(pyridin-3-ylmethyl)acetamide
SMILESCOc1ccccc1CN(Cc1cccnc1)C(=O)Cc1ccc2c(c1)C[C@H](C)O2
InChIInChI=1S/C25H26N2O3/c1-18-12-22-13-19(9-10-24(22)30-18)14-25(28)27(16-20-6-5-11-26-15-20)17-21-7-3-4-8-23(21)29-2/h3-11,13,15,18H,12,14,16-17H2,1-2H3/t18-/m0/s1
InChIKeyAKORCEHCYGOOTA-SFHVURJKSA-N
XLogP4.19
TPSA51.66 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.49
LogP ≤ 54.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-methoxyphenyl)-N-propyl-N-(pyridin-3-ylmethyl)acetamide
CID 46997861
(3R)-N-[(2-methoxyphenyl)methyl]-N-(pyridin-3-ylmethyl)oxolane-3-carboxamide
CID 95046458
1-(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)-2-pyridin-3-ylethanol
CID 104735809
N-[(2-methoxyphenyl)methyl]-5-methyl-N-(pyridin-3-ylmethyl)pyrazine-2-carboxamide
CID 46989447
N-[(2-methoxyphenyl)methyl]-2-methyl-3-pyrazol-1-yl-N-(pyridin-3-ylmethyl)propanamide
CID 46998936
1-[(2-methoxyphenyl)methyl]-N-methyl-N-[(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methyl]piperidine-4-carboxamide;hydrochloride
CID 171667520
N-[(2-methoxyphenyl)methyl]-2-methyl-N-(pyridin-3-ylmethyl)-4,5,6,7-tetrahydroindazole-3-carboxamide
CID 46957467
(1S,4R)-N-[(2-methoxyphenyl)methyl]-3,3-dimethyl-2-methylidene-N-(pyridin-3-ylmethyl)bicyclo[2.2.1]heptane-1-carboxamide
CID 98132705
N-[[(2R)-2-methyl-2,3-dihydro-1-benzofuran-5-yl]methyl]-4-(pyridin-3-ylmethoxy)piperidine-1-carboxamide
CID 125443225
2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[(2-methoxyphenyl)methyl]-N-(thiophen-2-ylmethyl)acetamide
CID 26905533
2-methoxy-N-[(2-oxo-1H-quinolin-3-yl)methyl]-N-(pyridin-3-ylmethyl)benzamide
CID 4888416
N-[[3-methoxy-4-[(3S)-oxolan-3-yl]oxyphenyl]methyl]-N-(pyridin-3-ylmethyl)-2-thiophen-3-ylacetamide
CID 26340017

Frequently Asked Questions

What is the IUPAC name of N-[(2-methoxyphenyl)methyl]-2-[(2S)-2-methyl-2,3-dihydro-1-benzofuran-5-yl]-N-(pyridin-3-ylmethyl)acetamide?
The IUPAC name of N-[(2-methoxyphenyl)methyl]-2-[(2S)-2-methyl-2,3-dihydro-1-benzofuran-5-yl]-N-(pyridin-3-ylmethyl)acetamide (CID 92584798) is N-[(2-methoxyphenyl)methyl]-2-[(2S)-2-methyl-2,3-dihydro-1-benzofuran-5-yl]-N-(pyridin-3-ylmethyl)acetamide.
What is the SMILES notation for N-[(2-methoxyphenyl)methyl]-2-[(2S)-2-methyl-2,3-dihydro-1-benzofuran-5-yl]-N-(pyridin-3-ylmethyl)acetamide?
The canonical SMILES for N-[(2-methoxyphenyl)methyl]-2-[(2S)-2-methyl-2,3-dihydro-1-benzofuran-5-yl]-N-(pyridin-3-ylmethyl)acetamide is COc1ccccc1CN(Cc1cccnc1)C(=O)Cc1ccc2c(c1)C[C@H](C)O2.
What is the InChIKey of N-[(2-methoxyphenyl)methyl]-2-[(2S)-2-methyl-2,3-dihydro-1-benzofuran-5-yl]-N-(pyridin-3-ylmethyl)acetamide?
The InChIKey is AKORCEHCYGOOTA-SFHVURJKSA-N. The full InChI is InChI=1S/C25H26N2O3/c1-18-12-22-13-19(9-10-24(22)30-18)14-25(28)27(16-20-6-5-11-26-15-20)17-21-7-3-4-8-23(21)29-2/h3-11,13,15,18H,12,14,16-17H2,1-2H3/t18-/m0/s1.
What are the key properties of N-[(2-methoxyphenyl)methyl]-2-[(2S)-2-methyl-2,3-dihydro-1-benzofuran-5-yl]-N-(pyridin-3-ylmethyl)acetamide?
N-[(2-methoxyphenyl)methyl]-2-[(2S)-2-methyl-2,3-dihydro-1-benzofuran-5-yl]-N-(pyridin-3-ylmethyl)acetamide has a molecular weight of 402.49 g/mol, XLogP of 4.19, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methoxyphenyl)methyl]-2-[(2S)-2-methyl-2,3-dihydro-1-benzofuran-5-yl]-N-(pyridin-3-ylmethyl)acetamide is sourced from PubChem (CID 92584798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).