N-[2-(1,3-dioxan-2-yl)ethyl]-3,5-dimethoxybenzamide

C15H21NO5 — CID 110370070

IUPACN-[2-(1,3-dioxan-2-yl)ethyl]-3,5-dimethoxybenzamide
SMILESCOc1cc(OC)cc(C(=O)NCCC2OCCCO2)c1
InChIInChI=1S/C15H21NO5/c1-18-12-8-11(9-13(10-12)19-2)15(17)16-5-4-14-20-6-3-7-21-14/h8-10,14H,3-7H2,1-2H3,(H,16,17)
InChIKeyOTAYVROIKLVIHH-UHFFFAOYSA-N
MW295.33 g/mol
LogP1.59
Rot. Bonds6

About N-[2-(1,3-dioxan-2-yl)ethyl]-3,5-dimethoxybenzamide

N-[2-(1,3-dioxan-2-yl)ethyl]-3,5-dimethoxybenzamide (PubChem CID 110370070) has the molecular formula C15H21NO5 and a molecular weight of 295.33 g/mol. Its IUPAC name is N-[2-(1,3-dioxan-2-yl)ethyl]-3,5-dimethoxybenzamide.

Molecular Properties

Compound NameN-[2-(1,3-dioxan-2-yl)ethyl]-3,5-dimethoxybenzamide
PubChem CID110370070
Molecular FormulaC15H21NO5
Molecular Weight295.33 g/mol
Exact Mass295.14
IUPAC NameN-[2-(1,3-dioxan-2-yl)ethyl]-3,5-dimethoxybenzamide
SMILESCOc1cc(OC)cc(C(=O)NCCC2OCCCO2)c1
InChIInChI=1S/C15H21NO5/c1-18-12-8-11(9-13(10-12)19-2)15(17)16-5-4-14-20-6-3-7-21-14/h8-10,14H,3-7H2,1-2H3,(H,16,17)
InChIKeyOTAYVROIKLVIHH-UHFFFAOYSA-N
XLogP1.59
TPSA66.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.33
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-[(3,5-dimethoxybenzoyl)amino]butyl]-3,5-dimethoxybenzamide
CID 2933573
3,5-dimethoxy-N-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]benzamide
CID 110359281
3,5-dimethoxy-N-[2-(propan-2-ylamino)ethyl]benzamide
CID 62663294
3,5-dimethoxy-N-(2-pyrrolidin-3-ylethyl)benzamide
CID 63628220
N-[2-[(3,5-dimethoxybenzoyl)amino]ethyl]-3,5-dihydroxybenzamide
CID 108539471
3-amino-N-(2-cyclopropylethyl)-5-methoxybenzamide
CID 81092217
N-[2-(3-cyclohexylpropanoylamino)ethyl]-3,5-dimethoxybenzamide
CID 108539452
3,5-dimethoxy-N-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]benzamide
CID 18160278
N-ethyl-3,5-dimethoxybenzamide
CID 4286127
N-(2-aminooxyethyl)-3,5-dimethoxybenzamide
CID 92931838
1-N,3-N-bis(2-acetamidoethyl)-5-methoxybenzene-1,3-dicarboxamide
CID 170010863
N-[3-(cyclohexylamino)-3-oxopropyl]-3,5-dimethoxybenzamide
CID 17191583

Frequently Asked Questions

What is the IUPAC name of N-[2-(1,3-dioxan-2-yl)ethyl]-3,5-dimethoxybenzamide?
The IUPAC name of N-[2-(1,3-dioxan-2-yl)ethyl]-3,5-dimethoxybenzamide (CID 110370070) is N-[2-(1,3-dioxan-2-yl)ethyl]-3,5-dimethoxybenzamide.
What is the SMILES notation for N-[2-(1,3-dioxan-2-yl)ethyl]-3,5-dimethoxybenzamide?
The canonical SMILES for N-[2-(1,3-dioxan-2-yl)ethyl]-3,5-dimethoxybenzamide is COc1cc(OC)cc(C(=O)NCCC2OCCCO2)c1.
What is the InChIKey of N-[2-(1,3-dioxan-2-yl)ethyl]-3,5-dimethoxybenzamide?
The InChIKey is OTAYVROIKLVIHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO5/c1-18-12-8-11(9-13(10-12)19-2)15(17)16-5-4-14-20-6-3-7-21-14/h8-10,14H,3-7H2,1-2H3,(H,16,17).
What are the key properties of N-[2-(1,3-dioxan-2-yl)ethyl]-3,5-dimethoxybenzamide?
N-[2-(1,3-dioxan-2-yl)ethyl]-3,5-dimethoxybenzamide has a molecular weight of 295.33 g/mol, XLogP of 1.59, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1,3-dioxan-2-yl)ethyl]-3,5-dimethoxybenzamide is sourced from PubChem (CID 110370070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).