1-N,3-N-bis(2,3-dihydroxypropyl)-4-ethyl-2,5,6-trimethylbenzene-1,3-dicarboxamide

C19H30N2O6 — CID 135179145

IUPAC1-N,3-N-bis(2,3-dihydroxypropyl)-4-ethyl-2,5,6-trimethylbenzene-1,3-dicarboxamide
SMILESCCc1c(C)c(C)c(C(=O)NCC(O)CO)c(C)c1C(=O)NCC(O)CO
InChIInChI=1S/C19H30N2O6/c1-5-15-10(2)11(3)16(18(26)20-6-13(24)8-22)12(4)17(15)19(27)21-7-14(25)9-23/h13-14,22-25H,5-9H2,1-4H3,(H,20,26)(H,21,27)
InChIKeyIVXKFDHMMXGZSL-UHFFFAOYSA-N
MW382.46 g/mol
LogP-0.66
Rot. Bonds9

About 1-N,3-N-bis(2,3-dihydroxypropyl)-4-ethyl-2,5,6-trimethylbenzene-1,3-dicarboxamide

1-N,3-N-bis(2,3-dihydroxypropyl)-4-ethyl-2,5,6-trimethylbenzene-1,3-dicarboxamide (PubChem CID 135179145) has the molecular formula C19H30N2O6 and a molecular weight of 382.46 g/mol. Its IUPAC name is 1-N,3-N-bis(2,3-dihydroxypropyl)-4-ethyl-2,5,6-trimethylbenzene-1,3-dicarboxamide.

Molecular Properties

Compound Name1-N,3-N-bis(2,3-dihydroxypropyl)-4-ethyl-2,5,6-trimethylbenzene-1,3-dicarboxamide
PubChem CID135179145
Molecular FormulaC19H30N2O6
Molecular Weight382.46 g/mol
Exact Mass382.21
IUPAC Name1-N,3-N-bis(2,3-dihydroxypropyl)-4-ethyl-2,5,6-trimethylbenzene-1,3-dicarboxamide
SMILESCCc1c(C)c(C)c(C(=O)NCC(O)CO)c(C)c1C(=O)NCC(O)CO
InChIInChI=1S/C19H30N2O6/c1-5-15-10(2)11(3)16(18(26)20-6-13(24)8-22)12(4)17(15)19(27)21-7-14(25)9-23/h13-14,22-25H,5-9H2,1-4H3,(H,20,26)(H,21,27)
InChIKeyIVXKFDHMMXGZSL-UHFFFAOYSA-N
XLogP-0.66
TPSA139.12 Ų
H-Bond Donors6
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500382.46
LogP ≤ 5-0.66
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2,3-dihydroxypropyl)-2,3,4,5,6-pentamethylbenzamide
CID 66176629
5-[acetyl-[4-[N-acetyl-3-(1,3-dihydroxypropan-2-ylcarbamoyl)-5-(2,3-dihydroxypropylcarbamoyl)-2-ethyl-4,6-dimethylanilino]-2,3-dihydroxybutyl]amino]-3-N-(1,3-dihydroxypropan-2-yl)-1-N-(2,3-dihydroxypropyl)-4-ethyl-2,6-dimethylbenzene-1,3-dicarboxamide
CID 143854273
[3-[[3,5-bis(2,3-dihydroxypropylcarbamoyl)-2,4,6-trimethylphenyl]carbamoyloxy]-2-hydroxypropyl] N-[3,5-bis(2,3-dihydroxypropylcarbamoyl)-2,4,6-trimethylphenyl]carbamate;ethane
CID 143798999
3-acetyl-5-[acetyl(2,3-dihydroxypropyl)amino]-N-(2,3-dihydroxypropyl)-2,4,6-trimethylbenzamide
CID 166894289
3-N-(2,3-dihydroxypropyl)-5-[[4-[3-(2,3-dihydroxypropylcarbamoyl)-N-formyl-5-(2-hydroxyethylcarbamoyl)-2,4,6-trimethylanilino]-2,3-dihydroxybutyl]-formylamino]-1-N-(2-hydroxyethyl)-2,4,6-trimethylbenzene-1,3-dicarboxamide
CID 143743897
3-N-(2,3-dihydroxypropyl)-1-N-(2-hydroxybutyl)-2,4,6-trimethyl-5-[prop-1-en-2-yl(propyl)amino]benzene-1,3-dicarboxamide
CID 153399209
3-[[3,5-bis(2,3-dihydroxypropylcarbamoyl)-2,4,6-trimethylphenyl]carbamoyloxy]propyl N-[3,5-bis(2,3-dihydroxypropylcarbamoyl)-2,4,6-trimethylphenyl]carbamate;ethane
CID 143798993
1-N,3-N-bis(2,3-dihydroxypropyl)-5-[[4-[3-(2,3-dihydroxypropylcarbamoyl)-N-formyl-2,4,5,6-tetramethylanilino]-2,3-dihydroxybutyl]-methylamino]-2,4,6-trimethylbenzene-1,3-dicarboxamide
CID 143743866
N-(2,3-dihydroxypropyl)-3-[(2,3-dihydroxypropylamino)methyl]-5-[(2-hydroxyacetyl)amino]-2,4,6-trimethylbenzamide
CID 145463768
N-(2,3-dihydroxypropyl)formamide;N-(2,3-dihydroxypropyl)-3-[(2-hydroxyacetyl)amino]-2,4,5,6-tetramethylbenzamide;ethane
CID 153399212
5-[acetyl(2,3-dihydroxypropyl)amino]-3-N-(2,3-dihydroxypropyl)-1-N-(2-hydroxy-3-nitrosopropyl)-2,4,6-trimethylbenzene-1,3-dicarboxamide
CID 166894242
2-hydroxy-3-[(2,3,4,5,6-pentamethylbenzoyl)amino]propanoic acid
CID 66168135

Frequently Asked Questions

What is the IUPAC name of 1-N,3-N-bis(2,3-dihydroxypropyl)-4-ethyl-2,5,6-trimethylbenzene-1,3-dicarboxamide?
The IUPAC name of 1-N,3-N-bis(2,3-dihydroxypropyl)-4-ethyl-2,5,6-trimethylbenzene-1,3-dicarboxamide (CID 135179145) is 1-N,3-N-bis(2,3-dihydroxypropyl)-4-ethyl-2,5,6-trimethylbenzene-1,3-dicarboxamide.
What is the SMILES notation for 1-N,3-N-bis(2,3-dihydroxypropyl)-4-ethyl-2,5,6-trimethylbenzene-1,3-dicarboxamide?
The canonical SMILES for 1-N,3-N-bis(2,3-dihydroxypropyl)-4-ethyl-2,5,6-trimethylbenzene-1,3-dicarboxamide is CCc1c(C)c(C)c(C(=O)NCC(O)CO)c(C)c1C(=O)NCC(O)CO.
What is the InChIKey of 1-N,3-N-bis(2,3-dihydroxypropyl)-4-ethyl-2,5,6-trimethylbenzene-1,3-dicarboxamide?
The InChIKey is IVXKFDHMMXGZSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N2O6/c1-5-15-10(2)11(3)16(18(26)20-6-13(24)8-22)12(4)17(15)19(27)21-7-14(25)9-23/h13-14,22-25H,5-9H2,1-4H3,(H,20,26)(H,21,27).
What are the key properties of 1-N,3-N-bis(2,3-dihydroxypropyl)-4-ethyl-2,5,6-trimethylbenzene-1,3-dicarboxamide?
1-N,3-N-bis(2,3-dihydroxypropyl)-4-ethyl-2,5,6-trimethylbenzene-1,3-dicarboxamide has a molecular weight of 382.46 g/mol, XLogP of -0.66, 9 rotatable bonds, 6 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,3-N-bis(2,3-dihydroxypropyl)-4-ethyl-2,5,6-trimethylbenzene-1,3-dicarboxamide is sourced from PubChem (CID 135179145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).