1-N-(3-hydroxy-2,2,4-trimethylpentyl)-4-N,4-N-dimethylbenzene-1,4-dicarboxamide

C18H28N2O3 — CID 109381099

IUPAC1-N-(3-hydroxy-2,2,4-trimethylpentyl)-4-N,4-N-dimethylbenzene-1,4-dicarboxamide
SMILESCC(C)C(O)C(C)(C)CNC(=O)c1ccc(C(=O)N(C)C)cc1
InChIInChI=1S/C18H28N2O3/c1-12(2)15(21)18(3,4)11-19-16(22)13-7-9-14(10-8-13)17(23)20(5)6/h7-10,12,15,21H,11H2,1-6H3,(H,19,22)
InChIKeyMKSFERLNDDUCDO-UHFFFAOYSA-N
MW320.43 g/mol
LogP2.16
Rot. Bonds6

About 1-N-(3-hydroxy-2,2,4-trimethylpentyl)-4-N,4-N-dimethylbenzene-1,4-dicarboxamide

1-N-(3-hydroxy-2,2,4-trimethylpentyl)-4-N,4-N-dimethylbenzene-1,4-dicarboxamide (PubChem CID 109381099) has the molecular formula C18H28N2O3 and a molecular weight of 320.43 g/mol. Its IUPAC name is 1-N-(3-hydroxy-2,2,4-trimethylpentyl)-4-N,4-N-dimethylbenzene-1,4-dicarboxamide.

Molecular Properties

Compound Name1-N-(3-hydroxy-2,2,4-trimethylpentyl)-4-N,4-N-dimethylbenzene-1,4-dicarboxamide
PubChem CID109381099
Molecular FormulaC18H28N2O3
Molecular Weight320.43 g/mol
Exact Mass320.21
IUPAC Name1-N-(3-hydroxy-2,2,4-trimethylpentyl)-4-N,4-N-dimethylbenzene-1,4-dicarboxamide
SMILESCC(C)C(O)C(C)(C)CNC(=O)c1ccc(C(=O)N(C)C)cc1
InChIInChI=1S/C18H28N2O3/c1-12(2)15(21)18(3,4)11-19-16(22)13-7-9-14(10-8-13)17(23)20(5)6/h7-10,12,15,21H,11H2,1-6H3,(H,19,22)
InChIKeyMKSFERLNDDUCDO-UHFFFAOYSA-N
XLogP2.16
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.43
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-N-(3-hydroxy-2,2,4-trimethylpentyl)-4-N,4-N-dimethylbenzene-1,4-dicarboxamide 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

4-acetyl-N-(3-hydroxy-2,2,4-trimethylpentyl)benzamide
CID 109380851
N-(3-hydroxy-2,2,4-trimethylpentyl)-4-(1H-pyrrole-3-carbonyl)benzamide
CID 109381074
1-N-(2-amino-2-methylpropyl)-4-N,4-N-dimethylbenzene-1,4-dicarboxamide;hydrochloride
CID 119630029
N-(3-hydroxy-2,2,4-trimethylpentyl)-4-(1,2,4-oxadiazol-3-yl)benzamide
CID 109381223
3,5-difluoro-N-(3-hydroxy-2,2,4-trimethylpentyl)benzamide
CID 109380870
4-(3,5-dimethyl-1,2,4-triazol-1-yl)-N-(3-hydroxy-2,2,4-trimethylpentyl)benzamide
CID 109381000
N-(3-hydroxy-2,2,4-trimethylpentyl)-1H-indazole-5-carboxamide
CID 109381268
N-[2-[(3-hydroxy-2,2,4-trimethylpentyl)amino]-2-oxoethyl]thiophene-3-carboxamide
CID 109389253
N-(3-hydroxy-2,2,4-trimethylpentyl)-5-methyl-1,3-oxazole-4-carboxamide
CID 109381177
N-(3-hydroxy-2,2,4-trimethylpentyl)-2-[methyl(propan-2-yl)amino]acetamide
CID 109380805
3-chloro-N-[2-[(3-hydroxy-2,2,4-trimethylpentyl)amino]-2-oxoethyl]benzamide
CID 109380818
N-(3-hydroxy-2,2,4-trimethylpentyl)-2H-chromene-3-carboxamide
CID 109381132

Frequently Asked Questions

What is the IUPAC name of 1-N-(3-hydroxy-2,2,4-trimethylpentyl)-4-N,4-N-dimethylbenzene-1,4-dicarboxamide?
The IUPAC name of 1-N-(3-hydroxy-2,2,4-trimethylpentyl)-4-N,4-N-dimethylbenzene-1,4-dicarboxamide (CID 109381099) is 1-N-(3-hydroxy-2,2,4-trimethylpentyl)-4-N,4-N-dimethylbenzene-1,4-dicarboxamide.
What is the SMILES notation for 1-N-(3-hydroxy-2,2,4-trimethylpentyl)-4-N,4-N-dimethylbenzene-1,4-dicarboxamide?
The canonical SMILES for 1-N-(3-hydroxy-2,2,4-trimethylpentyl)-4-N,4-N-dimethylbenzene-1,4-dicarboxamide is CC(C)C(O)C(C)(C)CNC(=O)c1ccc(C(=O)N(C)C)cc1.
What is the InChIKey of 1-N-(3-hydroxy-2,2,4-trimethylpentyl)-4-N,4-N-dimethylbenzene-1,4-dicarboxamide?
The InChIKey is MKSFERLNDDUCDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O3/c1-12(2)15(21)18(3,4)11-19-16(22)13-7-9-14(10-8-13)17(23)20(5)6/h7-10,12,15,21H,11H2,1-6H3,(H,19,22).
What are the key properties of 1-N-(3-hydroxy-2,2,4-trimethylpentyl)-4-N,4-N-dimethylbenzene-1,4-dicarboxamide?
1-N-(3-hydroxy-2,2,4-trimethylpentyl)-4-N,4-N-dimethylbenzene-1,4-dicarboxamide has a molecular weight of 320.43 g/mol, XLogP of 2.16, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(3-hydroxy-2,2,4-trimethylpentyl)-4-N,4-N-dimethylbenzene-1,4-dicarboxamide is sourced from PubChem (CID 109381099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).