2-[2,3-dihydro-1-benzofuran-7-ylmethyl(methyl)amino]-N-(4-methyl-2-pyridinyl)acetamide

C18H21N3O2 — CID 167952939

IUPAC2-[2,3-dihydro-1-benzofuran-7-ylmethyl(methyl)amino]-N-(4-methyl-2-pyridinyl)acetamide
SMILESCc1ccnc(NC(=O)CN(C)Cc2cccc3c2OCC3)c1
InChIInChI=1S/C18H21N3O2/c1-13-6-8-19-16(10-13)20-17(22)12-21(2)11-15-5-3-4-14-7-9-23-18(14)15/h3-6,8,10H,7,9,11-12H2,1-2H3,(H,19,20,22)
InChIKeyOXDOPGZMQPQZPD-UHFFFAOYSA-N
MW311.38 g/mol
LogP2.40
Rot. Bonds5

About 2-[2,3-dihydro-1-benzofuran-7-ylmethyl(methyl)amino]-N-(4-methyl-2-pyridinyl)acetamide

2-[2,3-dihydro-1-benzofuran-7-ylmethyl(methyl)amino]-N-(4-methyl-2-pyridinyl)acetamide (PubChem CID 167952939) has the molecular formula C18H21N3O2 and a molecular weight of 311.38 g/mol. Its IUPAC name is 2-[2,3-dihydro-1-benzofuran-7-ylmethyl(methyl)amino]-N-(4-methyl-2-pyridinyl)acetamide.

Molecular Properties

Compound Name2-[2,3-dihydro-1-benzofuran-7-ylmethyl(methyl)amino]-N-(4-methyl-2-pyridinyl)acetamide
PubChem CID167952939
Molecular FormulaC18H21N3O2
Molecular Weight311.38 g/mol
Exact Mass311.16
IUPAC Name2-[2,3-dihydro-1-benzofuran-7-ylmethyl(methyl)amino]-N-(4-methyl-2-pyridinyl)acetamide
SMILESCc1ccnc(NC(=O)CN(C)Cc2cccc3c2OCC3)c1
InChIInChI=1S/C18H21N3O2/c1-13-6-8-19-16(10-13)20-17(22)12-21(2)11-15-5-3-4-14-7-9-23-18(14)15/h3-6,8,10H,7,9,11-12H2,1-2H3,(H,19,20,22)
InChIKeyOXDOPGZMQPQZPD-UHFFFAOYSA-N
XLogP2.40
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.38
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[2-[2,3-dihydro-1-benzofuran-7-ylmethyl(methyl)amino]acetyl]amino]benzoic acid
CID 166268160
2-[methyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]-N-(4-methyl-2-pyridinyl)acetamide
CID 51075766
2-[methyl-[2-[(4-methyl-2-pyridinyl)amino]-2-oxoethyl]amino]-N-[[(2S)-oxolan-2-yl]methyl]acetamide
CID 95304590
(3R)-N-methyl-N-[2-[(4-methyl-2-pyridinyl)amino]-2-oxoethyl]-3,4-dihydro-2H-chromene-3-carboxamide
CID 95335512
2-[methyl(methylsulfonyl)amino]-N-(4-methyl-2-pyridinyl)acetamide
CID 47351627
N-(4-methyl-2-pyridinyl)-2-phenylacetamide
CID 4232423
3-[methyl-[2-[(4-methyl-2-pyridinyl)amino]-2-oxoethyl]amino]-N-(4-morpholin-4-ylphenyl)propanamide
CID 56526675
N-benzhydryl-3-[methyl-[2-[(4-methyl-2-pyridinyl)amino]-2-oxoethyl]amino]propanamide
CID 56526707
N,4-dimethyl-N-[2-[(4-methyl-2-pyridinyl)amino]-2-oxoethyl]benzamide
CID 155944690
N-methyl-N-[2-[(4-methyl-2-pyridinyl)amino]-2-oxoethyl]cyclopentanecarboxamide
CID 166182865
3-(2-aminophenyl)-N-(4-methyl-2-pyridinyl)propanamide
CID 43309208
N-(2,6-dimethylphenyl)-2-[(2,5-dimethylphenyl)methyl-methylamino]acetamide
CID 9221850

Frequently Asked Questions

What is the IUPAC name of 2-[2,3-dihydro-1-benzofuran-7-ylmethyl(methyl)amino]-N-(4-methyl-2-pyridinyl)acetamide?
The IUPAC name of 2-[2,3-dihydro-1-benzofuran-7-ylmethyl(methyl)amino]-N-(4-methyl-2-pyridinyl)acetamide (CID 167952939) is 2-[2,3-dihydro-1-benzofuran-7-ylmethyl(methyl)amino]-N-(4-methyl-2-pyridinyl)acetamide.
What is the SMILES notation for 2-[2,3-dihydro-1-benzofuran-7-ylmethyl(methyl)amino]-N-(4-methyl-2-pyridinyl)acetamide?
The canonical SMILES for 2-[2,3-dihydro-1-benzofuran-7-ylmethyl(methyl)amino]-N-(4-methyl-2-pyridinyl)acetamide is Cc1ccnc(NC(=O)CN(C)Cc2cccc3c2OCC3)c1.
What is the InChIKey of 2-[2,3-dihydro-1-benzofuran-7-ylmethyl(methyl)amino]-N-(4-methyl-2-pyridinyl)acetamide?
The InChIKey is OXDOPGZMQPQZPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O2/c1-13-6-8-19-16(10-13)20-17(22)12-21(2)11-15-5-3-4-14-7-9-23-18(14)15/h3-6,8,10H,7,9,11-12H2,1-2H3,(H,19,20,22).
What are the key properties of 2-[2,3-dihydro-1-benzofuran-7-ylmethyl(methyl)amino]-N-(4-methyl-2-pyridinyl)acetamide?
2-[2,3-dihydro-1-benzofuran-7-ylmethyl(methyl)amino]-N-(4-methyl-2-pyridinyl)acetamide has a molecular weight of 311.38 g/mol, XLogP of 2.40, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2,3-dihydro-1-benzofuran-7-ylmethyl(methyl)amino]-N-(4-methyl-2-pyridinyl)acetamide is sourced from PubChem (CID 167952939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).