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

C15H23NO3 — CID 66176629

IUPACN-(2,3-dihydroxypropyl)-2,3,4,5,6-pentamethylbenzamide
SMILESCc1c(C)c(C)c(C(=O)NCC(O)CO)c(C)c1C
InChIInChI=1S/C15H23NO3/c1-8-9(2)11(4)14(12(5)10(8)3)15(19)16-6-13(18)7-17/h13,17-18H,6-7H2,1-5H3,(H,16,19)
InChIKeyFUBRIGJXCBKMNO-UHFFFAOYSA-N
MW265.35 g/mol
LogP1.31
Rot. Bonds4

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

N-(2,3-dihydroxypropyl)-2,3,4,5,6-pentamethylbenzamide (PubChem CID 66176629) has the molecular formula C15H23NO3 and a molecular weight of 265.35 g/mol. Its IUPAC name is N-(2,3-dihydroxypropyl)-2,3,4,5,6-pentamethylbenzamide.

Molecular Properties

Compound NameN-(2,3-dihydroxypropyl)-2,3,4,5,6-pentamethylbenzamide
PubChem CID66176629
Molecular FormulaC15H23NO3
Molecular Weight265.35 g/mol
Exact Mass265.17
IUPAC NameN-(2,3-dihydroxypropyl)-2,3,4,5,6-pentamethylbenzamide
SMILESCc1c(C)c(C)c(C(=O)NCC(O)CO)c(C)c1C
InChIInChI=1S/C15H23NO3/c1-8-9(2)11(4)14(12(5)10(8)3)15(19)16-6-13(18)7-17/h13,17-18H,6-7H2,1-5H3,(H,16,19)
InChIKeyFUBRIGJXCBKMNO-UHFFFAOYSA-N
XLogP1.31
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.35
LogP ≤ 51.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze N-(2,3-dihydroxypropyl)-2,3,4,5,6-pentamethylbenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-N,3-N-bis(2,3-dihydroxypropyl)-4-ethyl-2,5,6-trimethylbenzene-1,3-dicarboxamide
CID 135179145
3-acetyl-5-[acetyl(2,3-dihydroxypropyl)amino]-N-(2,3-dihydroxypropyl)-2,4,6-trimethylbenzamide
CID 166894289
2-hydroxy-3-[(2,3,4,5,6-pentamethylbenzoyl)amino]propanoic acid
CID 66168135
N-(2,3-dihydroxypropyl)formamide;N-(2,3-dihydroxypropyl)-3-[(2-hydroxyacetyl)amino]-2,4,5,6-tetramethylbenzamide;ethane
CID 153399212
N-(2-cyclopropyl-2-hydroxyethyl)-2,3,4,5,6-pentamethylbenzamide
CID 63294856
[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-[[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
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
1-N,3-N-bis(2,3-dihydroxypropyl)-2,4,6-triiodo-5-(methylamino)benzene-1,3-dicarboxamide
CID 88523653
N-(2,3-dihydroxypropyl)-3-[(2,3-dihydroxypropylamino)methyl]-5-[(2-hydroxyacetyl)amino]-2,4,6-trimethylbenzamide
CID 145463768
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

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydroxypropyl)-2,3,4,5,6-pentamethylbenzamide?
The IUPAC name of N-(2,3-dihydroxypropyl)-2,3,4,5,6-pentamethylbenzamide (CID 66176629) is N-(2,3-dihydroxypropyl)-2,3,4,5,6-pentamethylbenzamide.
What is the SMILES notation for N-(2,3-dihydroxypropyl)-2,3,4,5,6-pentamethylbenzamide?
The canonical SMILES for N-(2,3-dihydroxypropyl)-2,3,4,5,6-pentamethylbenzamide is Cc1c(C)c(C)c(C(=O)NCC(O)CO)c(C)c1C.
What is the InChIKey of N-(2,3-dihydroxypropyl)-2,3,4,5,6-pentamethylbenzamide?
The InChIKey is FUBRIGJXCBKMNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO3/c1-8-9(2)11(4)14(12(5)10(8)3)15(19)16-6-13(18)7-17/h13,17-18H,6-7H2,1-5H3,(H,16,19).
What are the key properties of N-(2,3-dihydroxypropyl)-2,3,4,5,6-pentamethylbenzamide?
N-(2,3-dihydroxypropyl)-2,3,4,5,6-pentamethylbenzamide has a molecular weight of 265.35 g/mol, XLogP of 1.31, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydroxypropyl)-2,3,4,5,6-pentamethylbenzamide is sourced from PubChem (CID 66176629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).