2,4,6-trimethyl-1-N,3-N-bis(oxolan-2-ylmethyl)benzene-1,3-dicarboxamide

C21H30N2O4 — CID 3519038

IUPAC2,4,6-trimethyl-1-N,3-N-bis(oxolan-2-ylmethyl)benzene-1,3-dicarboxamide
SMILESCc1cc(C)c(C(=O)NCC2CCCO2)c(C)c1C(=O)NCC1CCCO1
InChIInChI=1S/C21H30N2O4/c1-13-10-14(2)19(21(25)23-12-17-7-5-9-27-17)15(3)18(13)20(24)22-11-16-6-4-8-26-16/h10,16-17H,4-9,11-12H2,1-3H3,(H,22,24)(H,23,25)
InChIKeyAUWCTYRHLWMLHQ-UHFFFAOYSA-N
MW374.48 g/mol
LogP2.43
Rot. Bonds6

About 2,4,6-trimethyl-1-N,3-N-bis(oxolan-2-ylmethyl)benzene-1,3-dicarboxamide

2,4,6-trimethyl-1-N,3-N-bis(oxolan-2-ylmethyl)benzene-1,3-dicarboxamide (PubChem CID 3519038) has the molecular formula C21H30N2O4 and a molecular weight of 374.48 g/mol. Its IUPAC name is 2,4,6-trimethyl-1-N,3-N-bis(oxolan-2-ylmethyl)benzene-1,3-dicarboxamide.

Molecular Properties

Compound Name2,4,6-trimethyl-1-N,3-N-bis(oxolan-2-ylmethyl)benzene-1,3-dicarboxamide
PubChem CID3519038
Molecular FormulaC21H30N2O4
Molecular Weight374.48 g/mol
Exact Mass374.22
IUPAC Name2,4,6-trimethyl-1-N,3-N-bis(oxolan-2-ylmethyl)benzene-1,3-dicarboxamide
SMILESCc1cc(C)c(C(=O)NCC2CCCO2)c(C)c1C(=O)NCC1CCCO1
InChIInChI=1S/C21H30N2O4/c1-13-10-14(2)19(21(25)23-12-17-7-5-9-27-17)15(3)18(13)20(24)22-11-16-6-4-8-26-16/h10,16-17H,4-9,11-12H2,1-3H3,(H,22,24)(H,23,25)
InChIKeyAUWCTYRHLWMLHQ-UHFFFAOYSA-N
XLogP2.43
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.48
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2,4,5-trimethyl-N-[[(2R)-oxolan-2-yl]methyl]benzamide
CID 95970650
3,5-dimethyl-N-[[(2S)-oxolan-2-yl]methyl]benzamide
CID 912572
4,5-difluoro-2-methyl-N-[[(2R)-oxolan-2-yl]methyl]benzamide
CID 7391199
4-amino-3-methyl-N-(oxolan-2-ylmethyl)benzamide
CID 16789376
4-methyl-2-oxo-N-(oxolan-2-ylmethyl)-1H-pyridine-3-carboxamide
CID 110647654
3-amino-5-methyl-N-(oxolan-2-ylmethyl)benzamide
CID 113396103
N-(oxolan-2-ylmethyl)-5-propan-2-yl-1H-pyrazole-3-carboxamide
CID 47244860
4-methyl-2-oxo-N-(oxolan-2-ylmethyl)-6-(2-phenylethyl)pyran-3-carboxamide
CID 169412806
2,6-dimethyl-N-(oxolan-2-ylmethyl)pyrimidine-4-carboxamide
CID 110849464
5-(4-methylphenyl)-N-[[(2R)-oxolan-2-yl]methyl]-1,2-oxazole-3-carboxamide
CID 1093775
3,4-dimethyl-5-(methylsulfamoyl)-N-(oxolan-2-ylmethyl)benzamide
CID 51180585
[(2S)-oxolan-2-yl]methylcarbamic acid
CID 69040354

Frequently Asked Questions

What is the IUPAC name of 2,4,6-trimethyl-1-N,3-N-bis(oxolan-2-ylmethyl)benzene-1,3-dicarboxamide?
The IUPAC name of 2,4,6-trimethyl-1-N,3-N-bis(oxolan-2-ylmethyl)benzene-1,3-dicarboxamide (CID 3519038) is 2,4,6-trimethyl-1-N,3-N-bis(oxolan-2-ylmethyl)benzene-1,3-dicarboxamide.
What is the SMILES notation for 2,4,6-trimethyl-1-N,3-N-bis(oxolan-2-ylmethyl)benzene-1,3-dicarboxamide?
The canonical SMILES for 2,4,6-trimethyl-1-N,3-N-bis(oxolan-2-ylmethyl)benzene-1,3-dicarboxamide is Cc1cc(C)c(C(=O)NCC2CCCO2)c(C)c1C(=O)NCC1CCCO1.
What is the InChIKey of 2,4,6-trimethyl-1-N,3-N-bis(oxolan-2-ylmethyl)benzene-1,3-dicarboxamide?
The InChIKey is AUWCTYRHLWMLHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30N2O4/c1-13-10-14(2)19(21(25)23-12-17-7-5-9-27-17)15(3)18(13)20(24)22-11-16-6-4-8-26-16/h10,16-17H,4-9,11-12H2,1-3H3,(H,22,24)(H,23,25).
What are the key properties of 2,4,6-trimethyl-1-N,3-N-bis(oxolan-2-ylmethyl)benzene-1,3-dicarboxamide?
2,4,6-trimethyl-1-N,3-N-bis(oxolan-2-ylmethyl)benzene-1,3-dicarboxamide has a molecular weight of 374.48 g/mol, XLogP of 2.43, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,6-trimethyl-1-N,3-N-bis(oxolan-2-ylmethyl)benzene-1,3-dicarboxamide is sourced from PubChem (CID 3519038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).