4-(dimethylamino)-N-[3-[[(3R)-oxolan-3-yl]methoxy]propyl]benzamide

C17H26N2O3 — CID 95635259

IUPAC4-(dimethylamino)-N-[3-[[(3R)-oxolan-3-yl]methoxy]propyl]benzamide
SMILESCN(C)c1ccc(C(=O)NCCCOC[C@@H]2CCOC2)cc1
InChIInChI=1S/C17H26N2O3/c1-19(2)16-6-4-15(5-7-16)17(20)18-9-3-10-21-12-14-8-11-22-13-14/h4-7,14H,3,8-13H2,1-2H3,(H,18,20)/t14-/m0/s1
InChIKeySRLMFWZKUCFGKV-AWEZNQCLSA-N
MW306.41 g/mol
LogP1.93
Rot. Bonds8

About 4-(dimethylamino)-N-[3-[[(3R)-oxolan-3-yl]methoxy]propyl]benzamide

4-(dimethylamino)-N-[3-[[(3R)-oxolan-3-yl]methoxy]propyl]benzamide (PubChem CID 95635259) has the molecular formula C17H26N2O3 and a molecular weight of 306.41 g/mol. Its IUPAC name is 4-(dimethylamino)-N-[3-[[(3R)-oxolan-3-yl]methoxy]propyl]benzamide.

Molecular Properties

Compound Name4-(dimethylamino)-N-[3-[[(3R)-oxolan-3-yl]methoxy]propyl]benzamide
PubChem CID95635259
Molecular FormulaC17H26N2O3
Molecular Weight306.41 g/mol
Exact Mass306.19
IUPAC Name4-(dimethylamino)-N-[3-[[(3R)-oxolan-3-yl]methoxy]propyl]benzamide
SMILESCN(C)c1ccc(C(=O)NCCCOC[C@@H]2CCOC2)cc1
InChIInChI=1S/C17H26N2O3/c1-19(2)16-6-4-15(5-7-16)17(20)18-9-3-10-21-12-14-8-11-22-13-14/h4-7,14H,3,8-13H2,1-2H3,(H,18,20)/t14-/m0/s1
InChIKeySRLMFWZKUCFGKV-AWEZNQCLSA-N
XLogP1.93
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.41
LogP ≤ 51.93
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

N-[2-[[N'-methyl-N-[3-(oxolan-3-ylmethoxy)propyl]carbamimidoyl]amino]ethyl]benzamide
CID 111647094
3-amino-N-[3-(oxolan-3-ylmethoxy)propyl]benzamide;hydrochloride
CID 119800059
N-butyl-4-[[[ethylamino-[3-(oxolan-3-ylmethoxy)propylamino]methylidene]amino]methyl]benzamide;hydroiodide
CID 111646875
3-fluoro-4-methyl-N-[2-[[N'-methyl-N-[3-(oxolan-3-ylmethoxy)propyl]carbamimidoyl]amino]ethyl]benzamide
CID 111648232
3-fluoro-4-methyl-N-[2-[[N'-methyl-N-[3-(oxolan-3-ylmethoxy)propyl]carbamimidoyl]amino]ethyl]benzamide;hydroiodide
CID 111648231
2-[benzyl(methyl)amino]-N-[3-[[(3S)-oxolan-3-yl]methoxy]propyl]acetamide
CID 95635358
N-[3-(cyclopropylmethoxy)propyl]-4-(dimethylsulfamoyl)benzamide
CID 18120892
4-(methylamino)-N-[2-(oxolan-3-yl)ethyl]benzamide
CID 114131493
N-[2-(dimethylamino)ethyl]-3-[[[ethylamino-[3-(oxolan-3-ylmethoxy)propylamino]methylidene]amino]methyl]benzamide;hydroiodide
CID 111646879
3-amino-N-[3-(oxan-4-ylmethoxy)propyl]benzamide
CID 119800018
N-[3-(oxolan-3-ylmethoxy)propyl]-1,3-dihydroisoindole-2-carboxamide
CID 75422050
2-[[(3-ethoxypropylamino)-[3-(oxolan-3-ylmethoxy)propylamino]methylidene]amino]-N,N-dimethylacetamide;hydroiodide
CID 111647821

Frequently Asked Questions

What is the IUPAC name of 4-(dimethylamino)-N-[3-[[(3R)-oxolan-3-yl]methoxy]propyl]benzamide?
The IUPAC name of 4-(dimethylamino)-N-[3-[[(3R)-oxolan-3-yl]methoxy]propyl]benzamide (CID 95635259) is 4-(dimethylamino)-N-[3-[[(3R)-oxolan-3-yl]methoxy]propyl]benzamide.
What is the SMILES notation for 4-(dimethylamino)-N-[3-[[(3R)-oxolan-3-yl]methoxy]propyl]benzamide?
The canonical SMILES for 4-(dimethylamino)-N-[3-[[(3R)-oxolan-3-yl]methoxy]propyl]benzamide is CN(C)c1ccc(C(=O)NCCCOC[C@@H]2CCOC2)cc1.
What is the InChIKey of 4-(dimethylamino)-N-[3-[[(3R)-oxolan-3-yl]methoxy]propyl]benzamide?
The InChIKey is SRLMFWZKUCFGKV-AWEZNQCLSA-N. The full InChI is InChI=1S/C17H26N2O3/c1-19(2)16-6-4-15(5-7-16)17(20)18-9-3-10-21-12-14-8-11-22-13-14/h4-7,14H,3,8-13H2,1-2H3,(H,18,20)/t14-/m0/s1.
What are the key properties of 4-(dimethylamino)-N-[3-[[(3R)-oxolan-3-yl]methoxy]propyl]benzamide?
4-(dimethylamino)-N-[3-[[(3R)-oxolan-3-yl]methoxy]propyl]benzamide has a molecular weight of 306.41 g/mol, XLogP of 1.93, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(dimethylamino)-N-[3-[[(3R)-oxolan-3-yl]methoxy]propyl]benzamide is sourced from PubChem (CID 95635259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).