4-N-(2-hydroxy-2,3-dimethylpentyl)benzene-1,4-dicarboxamide

C15H22N2O3 — CID 111463618

IUPAC4-N-(2-hydroxy-2,3-dimethylpentyl)benzene-1,4-dicarboxamide
SMILESCCC(C)C(C)(O)CNC(=O)c1ccc(C(N)=O)cc1
InChIInChI=1S/C15H22N2O3/c1-4-10(2)15(3,20)9-17-14(19)12-7-5-11(6-8-12)13(16)18/h5-8,10,20H,4,9H2,1-3H3,(H2,16,18)(H,17,19)
InChIKeyHZGDNGLLVDVCQO-UHFFFAOYSA-N
MW278.35 g/mol
LogP1.31
Rot. Bonds6

About 4-N-(2-hydroxy-2,3-dimethylpentyl)benzene-1,4-dicarboxamide

4-N-(2-hydroxy-2,3-dimethylpentyl)benzene-1,4-dicarboxamide (PubChem CID 111463618) has the molecular formula C15H22N2O3 and a molecular weight of 278.35 g/mol. Its IUPAC name is 4-N-(2-hydroxy-2,3-dimethylpentyl)benzene-1,4-dicarboxamide.

Molecular Properties

Compound Name4-N-(2-hydroxy-2,3-dimethylpentyl)benzene-1,4-dicarboxamide
PubChem CID111463618
Molecular FormulaC15H22N2O3
Molecular Weight278.35 g/mol
Exact Mass278.16
IUPAC Name4-N-(2-hydroxy-2,3-dimethylpentyl)benzene-1,4-dicarboxamide
SMILESCCC(C)C(C)(O)CNC(=O)c1ccc(C(N)=O)cc1
InChIInChI=1S/C15H22N2O3/c1-4-10(2)15(3,20)9-17-14(19)12-7-5-11(6-8-12)13(16)18/h5-8,10,20H,4,9H2,1-3H3,(H2,16,18)(H,17,19)
InChIKeyHZGDNGLLVDVCQO-UHFFFAOYSA-N
XLogP1.31
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.35
LogP ≤ 51.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-formyl-N-(2-hydroxy-2,3-dimethylpentyl)benzamide
CID 111463682
3-N-(2-hydroxy-2,3-dimethylpentyl)-1-N-methylbenzene-1,3-dicarboxamide
CID 111477971
4-(4-ethylpiperazin-1-yl)-N-(2-hydroxy-2,3-dimethylpentyl)benzamide
CID 111477879
4-N-(4-hydroxy-2,2-dimethylpentyl)benzene-1,4-dicarboxamide
CID 111520130
N-(2-hydroxy-2,3-dimethylpentyl)-4-(4-methylpyrazol-1-yl)benzamide
CID 111446448
N-(2-hydroxy-2,3-dimethylpentyl)-2,4-dimethylbenzamide
CID 111446501
4-[(4-carbamoylbenzoyl)amino]-3-hydroxy-3-methylbutanoic acid
CID 66003486
N-(2-hydroxy-2,3-dimethylpentyl)-4-(1,3-thiazol-4-ylmethoxy)benzamide
CID 111477987
N-(2-hydroxy-2,3-dimethylpentyl)-4-(pyridin-2-ylmethoxy)benzamide
CID 111477995
4-N-(4-hydroxy-2,2-dimethylbutyl)benzene-1,4-dicarboxamide
CID 103772906
N-(2-hydroxy-2,3-dimethylpentyl)thiadiazole-4-carboxamide
CID 111485978
4-[[(2-hydroxy-2,3-dimethylpentyl)carbamoylamino]methyl]benzoic acid
CID 122021168

Frequently Asked Questions

What is the IUPAC name of 4-N-(2-hydroxy-2,3-dimethylpentyl)benzene-1,4-dicarboxamide?
The IUPAC name of 4-N-(2-hydroxy-2,3-dimethylpentyl)benzene-1,4-dicarboxamide (CID 111463618) is 4-N-(2-hydroxy-2,3-dimethylpentyl)benzene-1,4-dicarboxamide.
What is the SMILES notation for 4-N-(2-hydroxy-2,3-dimethylpentyl)benzene-1,4-dicarboxamide?
The canonical SMILES for 4-N-(2-hydroxy-2,3-dimethylpentyl)benzene-1,4-dicarboxamide is CCC(C)C(C)(O)CNC(=O)c1ccc(C(N)=O)cc1.
What is the InChIKey of 4-N-(2-hydroxy-2,3-dimethylpentyl)benzene-1,4-dicarboxamide?
The InChIKey is HZGDNGLLVDVCQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3/c1-4-10(2)15(3,20)9-17-14(19)12-7-5-11(6-8-12)13(16)18/h5-8,10,20H,4,9H2,1-3H3,(H2,16,18)(H,17,19).
What are the key properties of 4-N-(2-hydroxy-2,3-dimethylpentyl)benzene-1,4-dicarboxamide?
4-N-(2-hydroxy-2,3-dimethylpentyl)benzene-1,4-dicarboxamide has a molecular weight of 278.35 g/mol, XLogP of 1.31, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(2-hydroxy-2,3-dimethylpentyl)benzene-1,4-dicarboxamide is sourced from PubChem (CID 111463618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).