2-[benzyl(methyl)amino]-N-[3-[[(3S)-oxolan-3-yl]methoxy]propyl]acetamide

C18H28N2O3 — CID 95635358

IUPAC2-[benzyl(methyl)amino]-N-[3-[[(3S)-oxolan-3-yl]methoxy]propyl]acetamide
SMILESCN(CC(=O)NCCCOC[C@H]1CCOC1)Cc1ccccc1
InChIInChI=1S/C18H28N2O3/c1-20(12-16-6-3-2-4-7-16)13-18(21)19-9-5-10-22-14-17-8-11-23-15-17/h2-4,6-7,17H,5,8-15H2,1H3,(H,19,21)/t17-/m1/s1
InChIKeyGWLWGOIDQAYBRP-QGZVFWFLSA-N
MW320.43 g/mol
LogP1.68
Rot. Bonds10

About 2-[benzyl(methyl)amino]-N-[3-[[(3S)-oxolan-3-yl]methoxy]propyl]acetamide

2-[benzyl(methyl)amino]-N-[3-[[(3S)-oxolan-3-yl]methoxy]propyl]acetamide (PubChem CID 95635358) has the molecular formula C18H28N2O3 and a molecular weight of 320.43 g/mol. Its IUPAC name is 2-[benzyl(methyl)amino]-N-[3-[[(3S)-oxolan-3-yl]methoxy]propyl]acetamide.

Molecular Properties

Compound Name2-[benzyl(methyl)amino]-N-[3-[[(3S)-oxolan-3-yl]methoxy]propyl]acetamide
PubChem CID95635358
Molecular FormulaC18H28N2O3
Molecular Weight320.43 g/mol
Exact Mass320.21
IUPAC Name2-[benzyl(methyl)amino]-N-[3-[[(3S)-oxolan-3-yl]methoxy]propyl]acetamide
SMILESCN(CC(=O)NCCCOC[C@H]1CCOC1)Cc1ccccc1
InChIInChI=1S/C18H28N2O3/c1-20(12-16-6-3-2-4-7-16)13-18(21)19-9-5-10-22-14-17-8-11-23-15-17/h2-4,6-7,17H,5,8-15H2,1H3,(H,19,21)/t17-/m1/s1
InChIKeyGWLWGOIDQAYBRP-QGZVFWFLSA-N
XLogP1.68
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.43
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-[3-[benzyl(methyl)amino]propyl]-2-methyl-3-[3-(oxolan-3-ylmethoxy)propyl]guanidine;hydroiodide
CID 111647003
1-[3-[benzyl(methyl)amino]propyl]-3-ethyl-2-[3-(oxolan-3-ylmethoxy)propyl]guanidine
CID 111645862
2-[[N'-methyl-N-[3-(oxolan-3-ylmethoxy)propyl]carbamimidoyl]amino]-N-(2-phenylethyl)acetamide
CID 111646194
2-[[N'-methyl-N-[3-(oxolan-3-ylmethoxy)propyl]carbamimidoyl]amino]-N-(2-phenylethyl)acetamide;hydroiodide
CID 111646193
N-[3-(oxolan-3-ylmethoxy)propyl]-1,3-dihydroisoindole-2-carboxamide
CID 75422050
4-(dimethylamino)-N-[3-[[(3R)-oxolan-3-yl]methoxy]propyl]benzamide
CID 95635259
2-[benzyl(methyl)amino]-N-(3-phenylpropyl)acetamide
CID 78787240
N-[2-[[N'-methyl-N-[3-(oxolan-3-ylmethoxy)propyl]carbamimidoyl]amino]ethyl]benzamide
CID 111647094
2-(4-fluorophenyl)-N-[2-[[N'-methyl-N-[3-(oxolan-3-ylmethoxy)propyl]carbamimidoyl]amino]ethyl]acetamide
CID 111647066
2-[[ethylamino-[3-(oxolan-3-ylmethoxy)propylamino]methylidene]amino]-N-phenylacetamide
CID 111647208
1-[2-[benzyl(methyl)amino]ethyl]-3-[3-(cyclopropylmethoxy)propyl]-2-methylguanidine;hydroiodide
CID 111392568
2-[benzyl(methyl)amino]-N-(2-phenylethyl)acetamide
CID 54808729

Frequently Asked Questions

What is the IUPAC name of 2-[benzyl(methyl)amino]-N-[3-[[(3S)-oxolan-3-yl]methoxy]propyl]acetamide?
The IUPAC name of 2-[benzyl(methyl)amino]-N-[3-[[(3S)-oxolan-3-yl]methoxy]propyl]acetamide (CID 95635358) is 2-[benzyl(methyl)amino]-N-[3-[[(3S)-oxolan-3-yl]methoxy]propyl]acetamide.
What is the SMILES notation for 2-[benzyl(methyl)amino]-N-[3-[[(3S)-oxolan-3-yl]methoxy]propyl]acetamide?
The canonical SMILES for 2-[benzyl(methyl)amino]-N-[3-[[(3S)-oxolan-3-yl]methoxy]propyl]acetamide is CN(CC(=O)NCCCOC[C@H]1CCOC1)Cc1ccccc1.
What is the InChIKey of 2-[benzyl(methyl)amino]-N-[3-[[(3S)-oxolan-3-yl]methoxy]propyl]acetamide?
The InChIKey is GWLWGOIDQAYBRP-QGZVFWFLSA-N. The full InChI is InChI=1S/C18H28N2O3/c1-20(12-16-6-3-2-4-7-16)13-18(21)19-9-5-10-22-14-17-8-11-23-15-17/h2-4,6-7,17H,5,8-15H2,1H3,(H,19,21)/t17-/m1/s1.
What are the key properties of 2-[benzyl(methyl)amino]-N-[3-[[(3S)-oxolan-3-yl]methoxy]propyl]acetamide?
2-[benzyl(methyl)amino]-N-[3-[[(3S)-oxolan-3-yl]methoxy]propyl]acetamide has a molecular weight of 320.43 g/mol, XLogP of 1.68, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[benzyl(methyl)amino]-N-[3-[[(3S)-oxolan-3-yl]methoxy]propyl]acetamide is sourced from PubChem (CID 95635358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).