N-(5-hydroxy-2,2-dimethylpentyl)-4-propan-2-ylbenzamide

C17H27NO2 — CID 103899537

IUPACN-(5-hydroxy-2,2-dimethylpentyl)-4-propan-2-ylbenzamide
SMILESCC(C)c1ccc(C(=O)NCC(C)(C)CCCO)cc1
InChIInChI=1S/C17H27NO2/c1-13(2)14-6-8-15(9-7-14)16(20)18-12-17(3,4)10-5-11-19/h6-9,13,19H,5,10-12H2,1-4H3,(H,18,20)
InChIKeyDVLWFVFTLXRQIK-UHFFFAOYSA-N
MW277.41 g/mol
LogP3.34
Rot. Bonds7

About N-(5-hydroxy-2,2-dimethylpentyl)-4-propan-2-ylbenzamide

N-(5-hydroxy-2,2-dimethylpentyl)-4-propan-2-ylbenzamide (PubChem CID 103899537) has the molecular formula C17H27NO2 and a molecular weight of 277.41 g/mol. Its IUPAC name is N-(5-hydroxy-2,2-dimethylpentyl)-4-propan-2-ylbenzamide.

Molecular Properties

Compound NameN-(5-hydroxy-2,2-dimethylpentyl)-4-propan-2-ylbenzamide
PubChem CID103899537
Molecular FormulaC17H27NO2
Molecular Weight277.41 g/mol
Exact Mass277.20
IUPAC NameN-(5-hydroxy-2,2-dimethylpentyl)-4-propan-2-ylbenzamide
SMILESCC(C)c1ccc(C(=O)NCC(C)(C)CCCO)cc1
InChIInChI=1S/C17H27NO2/c1-13(2)14-6-8-15(9-7-14)16(20)18-12-17(3,4)10-5-11-19/h6-9,13,19H,5,10-12H2,1-4H3,(H,18,20)
InChIKeyDVLWFVFTLXRQIK-UHFFFAOYSA-N
XLogP3.34
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 53.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3-amino-2,2-dimethylpropyl)-4-propan-2-ylbenzamide
CID 115365755
N-(2-amino-2-methylpropyl)-4-propan-2-ylbenzamide;hydrochloride
CID 119630213
N-(2,2-dimethylpropyl)-4-propan-2-ylbenzamide;molecular hydrogen
CID 169133122
N-(5-hydroxy-2,2-dimethylpentyl)-3,4-dimethylbenzamide
CID 103899541
3,4-difluoro-N-(5-hydroxy-2,2-dimethylpentyl)benzamide
CID 103899582
4,4-dimethyl-5-[(4-propan-2-ylphenyl)methylamino]pentan-1-ol
CID 103897565
4-N-(4-hydroxy-2,2-dimethylbutyl)benzene-1,4-dicarboxamide
CID 103772906
4-chloro-N-(5-hydroxy-2,2-dimethylpentyl)-2-methylbenzamide
CID 103899859
N-(5-hydroxy-2,2-dimethylpentyl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 103899434
4-amino-N-(5-hydroxy-2,2-dimethylpentyl)-3-methoxybenzamide
CID 106139342
6-hydrazinyl-N-(6-hydroxy-2,2-dimethylhexyl)pyridine-3-carboxamide
CID 91459914
3-fluoro-N-(5-hydroxy-2,2-dimethylpentyl)-4-methoxybenzamide
CID 75441473

Frequently Asked Questions

What is the IUPAC name of N-(5-hydroxy-2,2-dimethylpentyl)-4-propan-2-ylbenzamide?
The IUPAC name of N-(5-hydroxy-2,2-dimethylpentyl)-4-propan-2-ylbenzamide (CID 103899537) is N-(5-hydroxy-2,2-dimethylpentyl)-4-propan-2-ylbenzamide.
What is the SMILES notation for N-(5-hydroxy-2,2-dimethylpentyl)-4-propan-2-ylbenzamide?
The canonical SMILES for N-(5-hydroxy-2,2-dimethylpentyl)-4-propan-2-ylbenzamide is CC(C)c1ccc(C(=O)NCC(C)(C)CCCO)cc1.
What is the InChIKey of N-(5-hydroxy-2,2-dimethylpentyl)-4-propan-2-ylbenzamide?
The InChIKey is DVLWFVFTLXRQIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO2/c1-13(2)14-6-8-15(9-7-14)16(20)18-12-17(3,4)10-5-11-19/h6-9,13,19H,5,10-12H2,1-4H3,(H,18,20).
What are the key properties of N-(5-hydroxy-2,2-dimethylpentyl)-4-propan-2-ylbenzamide?
N-(5-hydroxy-2,2-dimethylpentyl)-4-propan-2-ylbenzamide has a molecular weight of 277.41 g/mol, XLogP of 3.34, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-hydroxy-2,2-dimethylpentyl)-4-propan-2-ylbenzamide is sourced from PubChem (CID 103899537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).