N,4-dimethoxy-N-(oxolan-2-yl)benzamide

C13H17NO4 — CID 162414115

IUPACN,4-dimethoxy-N-(oxolan-2-yl)benzamide
SMILESCOc1ccc(C(=O)N(OC)C2CCCO2)cc1
InChIInChI=1S/C13H17NO4/c1-16-11-7-5-10(6-8-11)13(15)14(17-2)12-4-3-9-18-12/h5-8,12H,3-4,9H2,1-2H3
InChIKeyDLSOKJMLYOWPRP-UHFFFAOYSA-N
MW251.28 g/mol
LogP1.84
Rot. Bonds4

About N,4-dimethoxy-N-(oxolan-2-yl)benzamide

N,4-dimethoxy-N-(oxolan-2-yl)benzamide (PubChem CID 162414115) has the molecular formula C13H17NO4 and a molecular weight of 251.28 g/mol. Its IUPAC name is N,4-dimethoxy-N-(oxolan-2-yl)benzamide.

Molecular Properties

Compound NameN,4-dimethoxy-N-(oxolan-2-yl)benzamide
PubChem CID162414115
Molecular FormulaC13H17NO4
Molecular Weight251.28 g/mol
Exact Mass251.12
IUPAC NameN,4-dimethoxy-N-(oxolan-2-yl)benzamide
SMILESCOc1ccc(C(=O)N(OC)C2CCCO2)cc1
InChIInChI=1S/C13H17NO4/c1-16-11-7-5-10(6-8-11)13(15)14(17-2)12-4-3-9-18-12/h5-8,12H,3-4,9H2,1-2H3
InChIKeyDLSOKJMLYOWPRP-UHFFFAOYSA-N
XLogP1.84
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.28
LogP ≤ 51.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-methoxy-N,N-bis[[(2S)-oxolan-2-yl]methyl]benzamide
CID 94815353
(4-methoxyphenyl)-(oxan-2-yl)methanone
CID 62212790
N-cyclobutyl-N-(3-hydroxypropyl)-4-methoxybenzamide
CID 102866210
4-methoxy-N'-(4-methoxybenzoyl)-N,N'-dimethylbenzohydrazide
CID 14949074
N-cyclohexyl-N-cyclopropyl-4-methoxybenzamide;methyl acetate
CID 143724469
tert-butyl (3R,4R)-4-hydroxy-3-[methoxy-(4-methoxybenzoyl)amino]azepane-1-carboxylate
CID 149433924
2-(4-methoxyphenoxy)oxolane
CID 135060561
2-(1,3-dioxolan-2-yl)-1-(4-methoxyphenyl)ethanone
CID 66570582
[2-oxo-2-(oxolan-2-ylmethylamino)ethyl] 4-methoxybenzoate
CID 4129063
4-methoxy-N-[[(2S)-oxolan-2-yl]methylcarbamothioyl]benzamide
CID 806255
4-N-[(4-methoxyphenyl)methyl]-1-N-(oxolan-2-ylmethyl)benzene-1,4-dicarboxamide
CID 109045580
4-methoxy-N-methyl-N-oxidobenzamide
CID 15105733

Frequently Asked Questions

What is the IUPAC name of N,4-dimethoxy-N-(oxolan-2-yl)benzamide?
The IUPAC name of N,4-dimethoxy-N-(oxolan-2-yl)benzamide (CID 162414115) is N,4-dimethoxy-N-(oxolan-2-yl)benzamide.
What is the SMILES notation for N,4-dimethoxy-N-(oxolan-2-yl)benzamide?
The canonical SMILES for N,4-dimethoxy-N-(oxolan-2-yl)benzamide is COc1ccc(C(=O)N(OC)C2CCCO2)cc1.
What is the InChIKey of N,4-dimethoxy-N-(oxolan-2-yl)benzamide?
The InChIKey is DLSOKJMLYOWPRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO4/c1-16-11-7-5-10(6-8-11)13(15)14(17-2)12-4-3-9-18-12/h5-8,12H,3-4,9H2,1-2H3.
What are the key properties of N,4-dimethoxy-N-(oxolan-2-yl)benzamide?
N,4-dimethoxy-N-(oxolan-2-yl)benzamide has a molecular weight of 251.28 g/mol, XLogP of 1.84, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,4-dimethoxy-N-(oxolan-2-yl)benzamide is sourced from PubChem (CID 162414115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).