3,4-dimethyl-N-[3-(oxolan-2-ylmethoxy)propyl]benzamide

C17H25NO3 — CID 134000506

IUPAC3,4-dimethyl-N-[3-(oxolan-2-ylmethoxy)propyl]benzamide
SMILESCc1ccc(C(=O)NCCCOCC2CCCO2)cc1C
InChIInChI=1S/C17H25NO3/c1-13-6-7-15(11-14(13)2)17(19)18-8-4-9-20-12-16-5-3-10-21-16/h6-7,11,16H,3-5,8-10,12H2,1-2H3,(H,18,19)
InChIKeyCPVGDGSPDKIVQO-UHFFFAOYSA-N
MW291.39 g/mol
LogP2.62
Rot. Bonds7

About 3,4-dimethyl-N-[3-(oxolan-2-ylmethoxy)propyl]benzamide

3,4-dimethyl-N-[3-(oxolan-2-ylmethoxy)propyl]benzamide (PubChem CID 134000506) has the molecular formula C17H25NO3 and a molecular weight of 291.39 g/mol. Its IUPAC name is 3,4-dimethyl-N-[3-(oxolan-2-ylmethoxy)propyl]benzamide.

Molecular Properties

Compound Name3,4-dimethyl-N-[3-(oxolan-2-ylmethoxy)propyl]benzamide
PubChem CID134000506
Molecular FormulaC17H25NO3
Molecular Weight291.39 g/mol
Exact Mass291.18
IUPAC Name3,4-dimethyl-N-[3-(oxolan-2-ylmethoxy)propyl]benzamide
SMILESCc1ccc(C(=O)NCCCOCC2CCCO2)cc1C
InChIInChI=1S/C17H25NO3/c1-13-6-7-15(11-14(13)2)17(19)18-8-4-9-20-12-16-5-3-10-21-16/h6-7,11,16H,3-5,8-10,12H2,1-2H3,(H,18,19)
InChIKeyCPVGDGSPDKIVQO-UHFFFAOYSA-N
XLogP2.62
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.39
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3,4-dimethyl-N-[3-(oxolan-2-ylmethoxy)propyl]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[3-[[(2S)-oxolan-2-yl]methoxy]propyl]benzamide
CID 94598600
4-methylsulfanyl-N-[3-(oxolan-2-ylmethoxy)propyl]benzamide
CID 78817984
3-methoxy-N-[3-(oxolan-2-ylmethoxy)propyl]benzamide
CID 134000631
3-amino-N-[3-(oxolan-2-ylmethoxy)propyl]benzamide
CID 61276101
2-fluoro-4-methyl-N-[3-(oxolan-2-ylmethoxy)propyl]benzamide
CID 79791073
2-(2-methylphenyl)-N-[3-[[(2R)-oxolan-2-yl]methoxy]propyl]acetamide
CID 94421971
2-bromo-3-methyl-N-[3-(oxolan-2-ylmethoxy)propyl]benzamide
CID 103854604
4-chloro-6-methyl-N-[3-(oxolan-2-ylmethoxy)propyl]pyridine-3-carboxamide
CID 81227781
2-(methylamino)-N-[3-(oxolan-2-ylmethoxy)propyl]benzamide
CID 61378454
3,5-dimethyl-N-[3-[[(2S)-oxolan-2-yl]methoxy]propyl]-1,2-oxazole-4-carboxamide
CID 97001915
2-amino-N-[3-(oxolan-2-ylmethoxy)propyl]benzamide;hydrochloride
CID 119943995
1,5-dimethyl-N-[3-[[(2R)-oxolan-2-yl]methoxy]propyl]pyrazole-4-carboxamide
CID 94179237

Frequently Asked Questions

What is the IUPAC name of 3,4-dimethyl-N-[3-(oxolan-2-ylmethoxy)propyl]benzamide?
The IUPAC name of 3,4-dimethyl-N-[3-(oxolan-2-ylmethoxy)propyl]benzamide (CID 134000506) is 3,4-dimethyl-N-[3-(oxolan-2-ylmethoxy)propyl]benzamide.
What is the SMILES notation for 3,4-dimethyl-N-[3-(oxolan-2-ylmethoxy)propyl]benzamide?
The canonical SMILES for 3,4-dimethyl-N-[3-(oxolan-2-ylmethoxy)propyl]benzamide is Cc1ccc(C(=O)NCCCOCC2CCCO2)cc1C.
What is the InChIKey of 3,4-dimethyl-N-[3-(oxolan-2-ylmethoxy)propyl]benzamide?
The InChIKey is CPVGDGSPDKIVQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO3/c1-13-6-7-15(11-14(13)2)17(19)18-8-4-9-20-12-16-5-3-10-21-16/h6-7,11,16H,3-5,8-10,12H2,1-2H3,(H,18,19).
What are the key properties of 3,4-dimethyl-N-[3-(oxolan-2-ylmethoxy)propyl]benzamide?
3,4-dimethyl-N-[3-(oxolan-2-ylmethoxy)propyl]benzamide has a molecular weight of 291.39 g/mol, XLogP of 2.62, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethyl-N-[3-(oxolan-2-ylmethoxy)propyl]benzamide is sourced from PubChem (CID 134000506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).