3-N-(2-hydroxy-2,3-dimethylpentyl)-1-N-methylbenzene-1,3-dicarboxamide

C16H24N2O3 — CID 111477971

IUPAC3-N-(2-hydroxy-2,3-dimethylpentyl)-1-N-methylbenzene-1,3-dicarboxamide
SMILESCCC(C)C(C)(O)CNC(=O)c1cccc(C(=O)NC)c1
InChIInChI=1S/C16H24N2O3/c1-5-11(2)16(3,21)10-18-15(20)13-8-6-7-12(9-13)14(19)17-4/h6-9,11,21H,5,10H2,1-4H3,(H,17,19)(H,18,20)
InChIKeyDNTACKUPADENTN-UHFFFAOYSA-N
MW292.38 g/mol
LogP1.57
Rot. Bonds6

About 3-N-(2-hydroxy-2,3-dimethylpentyl)-1-N-methylbenzene-1,3-dicarboxamide

3-N-(2-hydroxy-2,3-dimethylpentyl)-1-N-methylbenzene-1,3-dicarboxamide (PubChem CID 111477971) has the molecular formula C16H24N2O3 and a molecular weight of 292.38 g/mol. Its IUPAC name is 3-N-(2-hydroxy-2,3-dimethylpentyl)-1-N-methylbenzene-1,3-dicarboxamide.

Molecular Properties

Compound Name3-N-(2-hydroxy-2,3-dimethylpentyl)-1-N-methylbenzene-1,3-dicarboxamide
PubChem CID111477971
Molecular FormulaC16H24N2O3
Molecular Weight292.38 g/mol
Exact Mass292.18
IUPAC Name3-N-(2-hydroxy-2,3-dimethylpentyl)-1-N-methylbenzene-1,3-dicarboxamide
SMILESCCC(C)C(C)(O)CNC(=O)c1cccc(C(=O)NC)c1
InChIInChI=1S/C16H24N2O3/c1-5-11(2)16(3,21)10-18-15(20)13-8-6-7-12(9-13)14(19)17-4/h6-9,11,21H,5,10H2,1-4H3,(H,17,19)(H,18,20)
InChIKeyDNTACKUPADENTN-UHFFFAOYSA-N
XLogP1.57
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 51.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-N-(2-ethyl-2-hydroxybutyl)-1-N-methylbenzene-1,3-dicarboxamide
CID 111483358
3-N-(2-amino-2-methylpropyl)-1-N-methylbenzene-1,3-dicarboxamide;hydrochloride
CID 119630742
4-N-(2-hydroxy-2,3-dimethylpentyl)benzene-1,4-dicarboxamide
CID 111463618
4-formyl-N-(2-hydroxy-2,3-dimethylpentyl)benzamide
CID 111463682
3-N-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]-1-N-methylbenzene-1,3-dicarboxamide
CID 111481283
5-bromo-N-[(2S,3R)-2-hydroxy-2,3-dimethylpentyl]pyridine-3-carboxamide
CID 97317759
1-N-methyl-3-N-propylbenzene-1,3-dicarboxamide
CID 69320035
3-ethoxy-N-(2-hydroxy-2,3-dimethylbutyl)benzamide
CID 111484140
2-chloro-N-(2-hydroxy-2,3-dimethylpentyl)-3-methylbenzamide
CID 109399368
N-(2-hydroxy-2,3-dimethylbutyl)benzamide
CID 111484208
N-(2-hydroxy-2,3-dimethylpentyl)-2,4-dimethylbenzamide
CID 111446501
2-chloro-N-[(2R,3R)-2-hydroxy-2,3-dimethylpentyl]pyridine-3-carboxamide
CID 95987001

Frequently Asked Questions

What is the IUPAC name of 3-N-(2-hydroxy-2,3-dimethylpentyl)-1-N-methylbenzene-1,3-dicarboxamide?
The IUPAC name of 3-N-(2-hydroxy-2,3-dimethylpentyl)-1-N-methylbenzene-1,3-dicarboxamide (CID 111477971) is 3-N-(2-hydroxy-2,3-dimethylpentyl)-1-N-methylbenzene-1,3-dicarboxamide.
What is the SMILES notation for 3-N-(2-hydroxy-2,3-dimethylpentyl)-1-N-methylbenzene-1,3-dicarboxamide?
The canonical SMILES for 3-N-(2-hydroxy-2,3-dimethylpentyl)-1-N-methylbenzene-1,3-dicarboxamide is CCC(C)C(C)(O)CNC(=O)c1cccc(C(=O)NC)c1.
What is the InChIKey of 3-N-(2-hydroxy-2,3-dimethylpentyl)-1-N-methylbenzene-1,3-dicarboxamide?
The InChIKey is DNTACKUPADENTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O3/c1-5-11(2)16(3,21)10-18-15(20)13-8-6-7-12(9-13)14(19)17-4/h6-9,11,21H,5,10H2,1-4H3,(H,17,19)(H,18,20).
What are the key properties of 3-N-(2-hydroxy-2,3-dimethylpentyl)-1-N-methylbenzene-1,3-dicarboxamide?
3-N-(2-hydroxy-2,3-dimethylpentyl)-1-N-methylbenzene-1,3-dicarboxamide has a molecular weight of 292.38 g/mol, XLogP of 1.57, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-(2-hydroxy-2,3-dimethylpentyl)-1-N-methylbenzene-1,3-dicarboxamide is sourced from PubChem (CID 111477971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).