3-(2,3-dihydroxypropanoylamino)-N-(2,3-dihydroxypropyl)-N,2,4,5,6-pentamethylbenzamide

C18H28N2O6 — CID 143787605

IUPAC3-(2,3-dihydroxypropanoylamino)-N-(2,3-dihydroxypropyl)-N,2,4,5,6-pentamethylbenzamide
SMILESCc1c(C)c(NC(=O)C(O)CO)c(C)c(C(=O)N(C)CC(O)CO)c1C
InChIInChI=1S/C18H28N2O6/c1-9-10(2)15(18(26)20(5)6-13(23)7-21)12(4)16(11(9)3)19-17(25)14(24)8-22/h13-14,21-24H,6-8H2,1-5H3,(H,19,25)
InChIKeyRPKPANSLLZJNNC-UHFFFAOYSA-N
MW368.43 g/mol
LogP-0.36
Rot. Bonds7

About 3-(2,3-dihydroxypropanoylamino)-N-(2,3-dihydroxypropyl)-N,2,4,5,6-pentamethylbenzamide

3-(2,3-dihydroxypropanoylamino)-N-(2,3-dihydroxypropyl)-N,2,4,5,6-pentamethylbenzamide (PubChem CID 143787605) has the molecular formula C18H28N2O6 and a molecular weight of 368.43 g/mol. Its IUPAC name is 3-(2,3-dihydroxypropanoylamino)-N-(2,3-dihydroxypropyl)-N,2,4,5,6-pentamethylbenzamide.

Molecular Properties

Compound Name3-(2,3-dihydroxypropanoylamino)-N-(2,3-dihydroxypropyl)-N,2,4,5,6-pentamethylbenzamide
PubChem CID143787605
Molecular FormulaC18H28N2O6
Molecular Weight368.43 g/mol
Exact Mass368.19
IUPAC Name3-(2,3-dihydroxypropanoylamino)-N-(2,3-dihydroxypropyl)-N,2,4,5,6-pentamethylbenzamide
SMILESCc1c(C)c(NC(=O)C(O)CO)c(C)c(C(=O)N(C)CC(O)CO)c1C
InChIInChI=1S/C18H28N2O6/c1-9-10(2)15(18(26)20(5)6-13(23)7-21)12(4)16(11(9)3)19-17(25)14(24)8-22/h13-14,21-24H,6-8H2,1-5H3,(H,19,25)
InChIKeyRPKPANSLLZJNNC-UHFFFAOYSA-N
XLogP-0.36
TPSA130.33 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.43
LogP ≤ 5-0.36
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

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Related Compounds

5-(2,3-dihydroxypropanoylamino)-1-N-[3-[[3-(2,3-dihydroxypropanoylamino)-5-(2,3-dihydroxypropylcarbamoyl)-2,4,6-triiodobenzoyl]amino]-2-hydroxypropyl]-3-N-(2,3-dihydroxypropyl)-2,4,6-triiodobenzene-1,3-dicarboxamide;5-(2,3-dihydroxypropanoylamino)-1-N-[3-[[3-(2,3-dihydroxypropanoylamino)-5-[2,3-dihydroxypropyl(methyl)carbamoyl]-2,4,6-triiodobenzoyl]amino]-2-hydroxypropyl]-3-N-(2,3-dihydroxypropyl)-2,4,6-triiodo-3-N-methylbenzene-1,3-dicarboxamide;3-N-(2,3-dihydroxypropyl)-1-N-[3-[[3-(2,3-dihydroxypropylcarbamoyl)-2,4,6-triiodo-5-(2,3,4-trihydroxybutanoylamino)benzoyl]amino]-2-hydroxypropyl]-2,4,6-triiodo-5-(2,3,4-trihydroxybutanoylamino)benzene-1,3-dicarboxamide;3-N-(2,3-dihydroxypropyl)-1-N-[3-[[3-[2,3-dihydroxypropyl(methyl)carbamoyl]-2,4,6-triiodo-5-(2,3,4-trihydroxybutanoylamino)benzoyl]amino]-2-hydroxypropyl]-2,4,6-triiodo-3-N-methyl-5-(2,3,4-trihydroxybutanoylamino)benzene-1,3-dicarboxamide
CID 157147498
1-N-[2-[[3-(2,3-dihydroxypropanoylamino)-5-[2,3-dihydroxypropyl(methyl)carbamoyl]-2,4,6-triiodobenzoyl]amino]ethyl]-3-N-[(2,3-dihydroxypropanoylamino)methyl]-5-[(2R)-2,3-dihydroxypropyl]-2,4,6-triiodobenzene-1,3-dicarboxamide
CID 87693329
3-N-(2,3-dihydroxypropyl)-1-N-(2-formamidoethyl)-3-N,2,4,6-tetramethyl-5-(methylamino)benzene-1,3-dicarboxamide;N-(2,3-dihydroxypropyl)-3-[(2-hydroxyacetyl)amino]-N,2,4,5,6-pentamethylbenzamide;ethane;2-hydroxyacetaldehyde
CID 143787632
5-[acetyl-[5-[N-acetyl-3,5-bis[2,3-dihydroxypropyl(methyl)carbamoyl]-2,4,6-trimethylanilino]-2,3,4-trihydroxypentyl]amino]-1-N,3-N-bis(2,3-dihydroxypropyl)-1-N,3-N,2,4,6-pentamethylbenzene-1,3-dicarboxamide;ethane
CID 143854294
3-N,5-N-bis(2,3-dihydroxypropyl)-2,4,6-triiodo-3-N,5-N-dimethylbenzene-1,3,5-tricarboxamide
CID 12940863
3-N-(2,3-dihydroxypropyl)-1-N-[2-[2,3-dihydroxypropyl(formyl)amino]ethyl]-3-N,2,4,6-tetramethyl-5-(methylamino)benzene-1,3-dicarboxamide
CID 143787631
3-N-(2,3-dihydroxypropyl)-1-N-[3-[[3-[2,3-dihydroxypropyl(methyl)carbamoyl]-5-[(2-hydroxyacetyl)amino]-2,4,6-triiodobenzoyl]-[3-[[3-[2,3-dihydroxypropyl(methyl)carbamoyl]-5-[(2-hydroxyacetyl)amino]-2,4,6-triiodobenzoyl]-methylamino]-2-hydroxypropyl]amino]-2-hydroxypropyl]-5-[(2-hydroxyacetyl)amino]-2,4,6-triiodo-1-N,3-N-dimethylbenzene-1,3-dicarboxamide
CID 59413937
N-(2,3-dihydroxypropyl)-3-[(2-hydroxyacetyl)amino]-5-(1-hydroxyethyl)-2,4,6-triiodo-N-methylbenzamide
CID 18429299
5-(2,3-dihydroxypropanoylamino)-3-N-[3-[[3-(2,3-dihydroxypropanoylamino)-5-(2,3-dihydroxypropylcarbamoyl)-2,4,6-triiodobenzoyl]-[2-[[3-(2,3-dihydroxypropanoylamino)-5-(2,3-dihydroxypropylcarbamoyl)-2,4,6-triiodobenzoyl]-methylamino]ethyl]amino]propyl]-1-N-(2,3-dihydroxypropyl)-2,4,6-triiodo-3-N-methylbenzene-1,3-dicarboxamide
CID 59413949
1-N,3-N-bis(1,3-dihydroxypropan-2-yl)-5-[[(2S)-2-hydroxypropanoyl]amino]-2,4,6-triiodobenzene-1,3-dicarboxamide;1-N,3-N-bis(2,3-dihydroxypropyl)-5-[[3-hydroxy-2-(hydroxymethyl)propanoyl]amino]-2,4,6-triiodo-1-N,3-N-dimethylbenzene-1,3-dicarboxamide
CID 134585009
5-(2,3-dihydroxypropanoylamino)-1-N-[5-[[3-(2,3-dihydroxypropanoylamino)-5-[2,3-dihydroxypropyl(methyl)carbamoyl]-2,4,6-triiodobenzoyl]amino]-3-[2-[[3-(2,3-dihydroxypropanoylamino)-5-[2,3-dihydroxypropyl(methyl)carbamoyl]-2,4,6-triiodobenzoyl]amino]ethyl]pentyl]-3-N-(2,3-dihydroxypropyl)-2,4,6-triiodo-3-N-methylbenzene-1,3-dicarboxamide;3-N-(2,3-dihydroxypropyl)-1-N-[3-[[3-[2,3-dihydroxypropyl(methyl)carbamoyl]-5-[(2-hydroxyacetyl)amino]-2,4,6-triiodobenzoyl]amino]-2-[[[3-[2,3-dihydroxypropyl(methyl)carbamoyl]-5-[(2-hydroxyacetyl)amino]-2,4,6-triiodobenzoyl]amino]methyl]-2-methylpropyl]-5-[(2-hydroxyacetyl)amino]-2,4,6-triiodo-3-N-methylbenzene-1,3-dicarboxamide;3-N-(2,3-dihydroxypropyl)-1-N-[5-[[3-[2,3-dihydroxypropyl(methyl)carbamoyl]-2,4,6-triiodo-5-(2,3,4-trihydroxybutanoylamino)benzoyl]amino]-3-[2-[[3-[2,3-dihydroxypropyl(methyl)carbamoyl]-2,4,6-triiodo-5-(2,3,4-trihydroxybutanoylamino)benzoyl]amino]ethyl]pentyl]-2,4,6-triiodo-3-N-methyl-5-(2,3,4-trihydroxybutanoylamino)benzene-1,3-dicarboxamide
CID 158549961
5-[acetyl-[2-[[N-acetyl-3,5-bis[2,3-dihydroxypropyl(methyl)carbamoyl]-2,4,6-trimethylanilino]methyl]-2,3-dihydroxypropyl]amino]-1-N,3-N-bis(2,3-dihydroxypropyl)-1-N,3-N,2,4,6-pentamethylbenzene-1,3-dicarboxamide;ethane
CID 143854259

Frequently Asked Questions

What is the IUPAC name of 3-(2,3-dihydroxypropanoylamino)-N-(2,3-dihydroxypropyl)-N,2,4,5,6-pentamethylbenzamide?
The IUPAC name of 3-(2,3-dihydroxypropanoylamino)-N-(2,3-dihydroxypropyl)-N,2,4,5,6-pentamethylbenzamide (CID 143787605) is 3-(2,3-dihydroxypropanoylamino)-N-(2,3-dihydroxypropyl)-N,2,4,5,6-pentamethylbenzamide.
What is the SMILES notation for 3-(2,3-dihydroxypropanoylamino)-N-(2,3-dihydroxypropyl)-N,2,4,5,6-pentamethylbenzamide?
The canonical SMILES for 3-(2,3-dihydroxypropanoylamino)-N-(2,3-dihydroxypropyl)-N,2,4,5,6-pentamethylbenzamide is Cc1c(C)c(NC(=O)C(O)CO)c(C)c(C(=O)N(C)CC(O)CO)c1C.
What is the InChIKey of 3-(2,3-dihydroxypropanoylamino)-N-(2,3-dihydroxypropyl)-N,2,4,5,6-pentamethylbenzamide?
The InChIKey is RPKPANSLLZJNNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O6/c1-9-10(2)15(18(26)20(5)6-13(23)7-21)12(4)16(11(9)3)19-17(25)14(24)8-22/h13-14,21-24H,6-8H2,1-5H3,(H,19,25).
What are the key properties of 3-(2,3-dihydroxypropanoylamino)-N-(2,3-dihydroxypropyl)-N,2,4,5,6-pentamethylbenzamide?
3-(2,3-dihydroxypropanoylamino)-N-(2,3-dihydroxypropyl)-N,2,4,5,6-pentamethylbenzamide has a molecular weight of 368.43 g/mol, XLogP of -0.36, 7 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,3-dihydroxypropanoylamino)-N-(2,3-dihydroxypropyl)-N,2,4,5,6-pentamethylbenzamide is sourced from PubChem (CID 143787605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).