1-N,4-N-bis(oxolan-2-ylmethyl)benzene-1,4-dicarboxamide

C18H24N2O4 — CID 551361

IUPAC1-N,4-N-bis(oxolan-2-ylmethyl)benzene-1,4-dicarboxamide
SMILESO=C(NCC1CCCO1)c1ccc(C(=O)NCC2CCCO2)cc1
InChIInChI=1S/C18H24N2O4/c21-17(19-11-15-3-1-9-23-15)13-5-7-14(8-6-13)18(22)20-12-16-4-2-10-24-16/h5-8,15-16H,1-4,9-12H2,(H,19,21)(H,20,22)
InChIKeyRGUYKULSLJAZCE-UHFFFAOYSA-N
MW332.40 g/mol
LogP1.50
Rot. Bonds6

About 1-N,4-N-bis(oxolan-2-ylmethyl)benzene-1,4-dicarboxamide

1-N,4-N-bis(oxolan-2-ylmethyl)benzene-1,4-dicarboxamide (PubChem CID 551361) has the molecular formula C18H24N2O4 and a molecular weight of 332.40 g/mol. Its IUPAC name is 1-N,4-N-bis(oxolan-2-ylmethyl)benzene-1,4-dicarboxamide.

Molecular Properties

Compound Name1-N,4-N-bis(oxolan-2-ylmethyl)benzene-1,4-dicarboxamide
PubChem CID551361
Molecular FormulaC18H24N2O4
Molecular Weight332.40 g/mol
Exact Mass332.17
IUPAC Name1-N,4-N-bis(oxolan-2-ylmethyl)benzene-1,4-dicarboxamide
SMILESO=C(NCC1CCCO1)c1ccc(C(=O)NCC2CCCO2)cc1
InChIInChI=1S/C18H24N2O4/c21-17(19-11-15-3-1-9-23-15)13-5-7-14(8-6-13)18(22)20-12-16-4-2-10-24-16/h5-8,15-16H,1-4,9-12H2,(H,19,21)(H,20,22)
InChIKeyRGUYKULSLJAZCE-UHFFFAOYSA-N
XLogP1.50
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.40
LogP ≤ 51.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(oxolan-2-ylmethyl)-2-phenylacetamide
CID 531986
Benzamide, N-tetrahydrofurfuryl-3-bromo-
CID 531994
Benzamide, N-tetrahydrofurfuryl-3-fluoro-
CID 532005
N-Benzoyl-N'-(tetrahydro-2-furanylmethyl)thiourea
CID 2909272
Benzamide, N-tetrahydrofurfuryl-3-methyl-
CID 531960
4-fluoro-N-[3-methyl-1-oxo-1-(oxolan-2-ylmethylamino)butan-2-yl]benzamide
CID 4883577
N-(2-(N-((tetrahydrofuran-2-yl)methyl)sulfamoyl)ethyl)benzamide
CID 18582819
N-(2-methoxyethyl)-4-[oxo(phenyl)acetyl]benzamide
CID 1568335
4-methyl-N-(3-morpholin-4-ylpropyl)benzamide
CID 1739911
tert-butyl N-[[4-[[(3S)-2-oxooxolan-3-yl]carbamoyl]phenyl]methyl]carbamate
CID 11530089
N-(2-(2-(2-(Benzoylamino)ethoxy)ethoxy)ethyl)benzamide
CID 3369375
N-[2-(1-cyclohexenyl)ethyl]-4-(4-morpholinylmethyl)benzamide
CID 644557

Frequently Asked Questions

What is the IUPAC name of 1-N,4-N-bis(oxolan-2-ylmethyl)benzene-1,4-dicarboxamide?
The IUPAC name of 1-N,4-N-bis(oxolan-2-ylmethyl)benzene-1,4-dicarboxamide (CID 551361) is 1-N,4-N-bis(oxolan-2-ylmethyl)benzene-1,4-dicarboxamide.
What is the SMILES notation for 1-N,4-N-bis(oxolan-2-ylmethyl)benzene-1,4-dicarboxamide?
The canonical SMILES for 1-N,4-N-bis(oxolan-2-ylmethyl)benzene-1,4-dicarboxamide is O=C(NCC1CCCO1)c1ccc(C(=O)NCC2CCCO2)cc1.
What is the InChIKey of 1-N,4-N-bis(oxolan-2-ylmethyl)benzene-1,4-dicarboxamide?
The InChIKey is RGUYKULSLJAZCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O4/c21-17(19-11-15-3-1-9-23-15)13-5-7-14(8-6-13)18(22)20-12-16-4-2-10-24-16/h5-8,15-16H,1-4,9-12H2,(H,19,21)(H,20,22).
What are the key properties of 1-N,4-N-bis(oxolan-2-ylmethyl)benzene-1,4-dicarboxamide?
1-N,4-N-bis(oxolan-2-ylmethyl)benzene-1,4-dicarboxamide has a molecular weight of 332.40 g/mol, XLogP of 1.50, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,4-N-bis(oxolan-2-ylmethyl)benzene-1,4-dicarboxamide is sourced from PubChem (CID 551361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).