1-N-(2,2-dimethylpropyl)-4-N-(1-hydroxypentan-3-yl)benzene-1,4-dicarboxamide

C18H28N2O3 — CID 109479295

IUPAC1-N-(2,2-dimethylpropyl)-4-N-(1-hydroxypentan-3-yl)benzene-1,4-dicarboxamide
SMILESCCC(CCO)NC(=O)c1ccc(C(=O)NCC(C)(C)C)cc1
InChIInChI=1S/C18H28N2O3/c1-5-15(10-11-21)20-17(23)14-8-6-13(7-9-14)16(22)19-12-18(2,3)4/h6-9,15,21H,5,10-12H2,1-4H3,(H,19,22)(H,20,23)
InChIKeyWFEDQKZQKQECPP-UHFFFAOYSA-N
MW320.43 g/mol
LogP2.35
Rot. Bonds7

About 1-N-(2,2-dimethylpropyl)-4-N-(1-hydroxypentan-3-yl)benzene-1,4-dicarboxamide

1-N-(2,2-dimethylpropyl)-4-N-(1-hydroxypentan-3-yl)benzene-1,4-dicarboxamide (PubChem CID 109479295) has the molecular formula C18H28N2O3 and a molecular weight of 320.43 g/mol. Its IUPAC name is 1-N-(2,2-dimethylpropyl)-4-N-(1-hydroxypentan-3-yl)benzene-1,4-dicarboxamide.

Molecular Properties

Compound Name1-N-(2,2-dimethylpropyl)-4-N-(1-hydroxypentan-3-yl)benzene-1,4-dicarboxamide
PubChem CID109479295
Molecular FormulaC18H28N2O3
Molecular Weight320.43 g/mol
Exact Mass320.21
IUPAC Name1-N-(2,2-dimethylpropyl)-4-N-(1-hydroxypentan-3-yl)benzene-1,4-dicarboxamide
SMILESCCC(CCO)NC(=O)c1ccc(C(=O)NCC(C)(C)C)cc1
InChIInChI=1S/C18H28N2O3/c1-5-15(10-11-21)20-17(23)14-8-6-13(7-9-14)16(22)19-12-18(2,3)4/h6-9,15,21H,5,10-12H2,1-4H3,(H,19,22)(H,20,23)
InChIKeyWFEDQKZQKQECPP-UHFFFAOYSA-N
XLogP2.35
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.43
LogP ≤ 52.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-ethylsulfanyl-N-(1-hydroxypentan-3-yl)benzamide
CID 110000332
N-(1-hydroxypentan-3-yl)-4-propoxybenzamide
CID 115767380
N-(1-hydroxypentan-3-yl)-4-(propan-2-yloxymethyl)benzamide
CID 115767414
1-N-(3-aminobutyl)-4-N-(2,2-dimethylpropyl)benzene-1,4-dicarboxamide
CID 119498465
N-(1-hydroxypentan-3-yl)-6-methoxypyridine-3-carboxamide
CID 115767344
4-amino-N-hexan-3-ylbenzamide
CID 62094734
N-(2,2-dimethylpropyl)-4-propan-2-ylbenzamide;molecular hydrogen
CID 169133122
4-N-(2,2-dimethylpropyl)-1-N-(3-hydroxy-4-methylpentyl)benzene-1,4-dicarboxamide
CID 111461080
3-fluoro-N-(1-hydroxypentan-3-yl)-4-methoxybenzamide
CID 109478916
3-[[4-(2,2-dimethylpropylcarbamoyl)benzoyl]amino]-3-phenylpropanoic acid
CID 119166883
N-[1-(1-hydroxypentan-3-ylamino)-3-methyl-1-oxobutan-2-yl]benzamide
CID 109479000
4-tert-butyl-N-heptan-4-ylbenzamide
CID 138525805

Frequently Asked Questions

What is the IUPAC name of 1-N-(2,2-dimethylpropyl)-4-N-(1-hydroxypentan-3-yl)benzene-1,4-dicarboxamide?
The IUPAC name of 1-N-(2,2-dimethylpropyl)-4-N-(1-hydroxypentan-3-yl)benzene-1,4-dicarboxamide (CID 109479295) is 1-N-(2,2-dimethylpropyl)-4-N-(1-hydroxypentan-3-yl)benzene-1,4-dicarboxamide.
What is the SMILES notation for 1-N-(2,2-dimethylpropyl)-4-N-(1-hydroxypentan-3-yl)benzene-1,4-dicarboxamide?
The canonical SMILES for 1-N-(2,2-dimethylpropyl)-4-N-(1-hydroxypentan-3-yl)benzene-1,4-dicarboxamide is CCC(CCO)NC(=O)c1ccc(C(=O)NCC(C)(C)C)cc1.
What is the InChIKey of 1-N-(2,2-dimethylpropyl)-4-N-(1-hydroxypentan-3-yl)benzene-1,4-dicarboxamide?
The InChIKey is WFEDQKZQKQECPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O3/c1-5-15(10-11-21)20-17(23)14-8-6-13(7-9-14)16(22)19-12-18(2,3)4/h6-9,15,21H,5,10-12H2,1-4H3,(H,19,22)(H,20,23).
What are the key properties of 1-N-(2,2-dimethylpropyl)-4-N-(1-hydroxypentan-3-yl)benzene-1,4-dicarboxamide?
1-N-(2,2-dimethylpropyl)-4-N-(1-hydroxypentan-3-yl)benzene-1,4-dicarboxamide has a molecular weight of 320.43 g/mol, XLogP of 2.35, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(2,2-dimethylpropyl)-4-N-(1-hydroxypentan-3-yl)benzene-1,4-dicarboxamide is sourced from PubChem (CID 109479295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).