N-[2-(2-hydroxyethyl)pentyl]-3-propan-2-yloxybenzamide

C17H27NO3 — CID 106115912

IUPACN-[2-(2-hydroxyethyl)pentyl]-3-propan-2-yloxybenzamide
SMILESCCCC(CCO)CNC(=O)c1cccc(OC(C)C)c1
InChIInChI=1S/C17H27NO3/c1-4-6-14(9-10-19)12-18-17(20)15-7-5-8-16(11-15)21-13(2)3/h5,7-8,11,13-14,19H,4,6,9-10,12H2,1-3H3,(H,18,20)
InChIKeyHZAQZAXCDOXKHK-UHFFFAOYSA-N
MW293.41 g/mol
LogP3.00
Rot. Bonds9

About N-[2-(2-hydroxyethyl)pentyl]-3-propan-2-yloxybenzamide

N-[2-(2-hydroxyethyl)pentyl]-3-propan-2-yloxybenzamide (PubChem CID 106115912) has the molecular formula C17H27NO3 and a molecular weight of 293.41 g/mol. Its IUPAC name is N-[2-(2-hydroxyethyl)pentyl]-3-propan-2-yloxybenzamide.

Molecular Properties

Compound NameN-[2-(2-hydroxyethyl)pentyl]-3-propan-2-yloxybenzamide
PubChem CID106115912
Molecular FormulaC17H27NO3
Molecular Weight293.41 g/mol
Exact Mass293.20
IUPAC NameN-[2-(2-hydroxyethyl)pentyl]-3-propan-2-yloxybenzamide
SMILESCCCC(CCO)CNC(=O)c1cccc(OC(C)C)c1
InChIInChI=1S/C17H27NO3/c1-4-6-14(9-10-19)12-18-17(20)15-7-5-8-16(11-15)21-13(2)3/h5,7-8,11,13-14,19H,4,6,9-10,12H2,1-3H3,(H,18,20)
InChIKeyHZAQZAXCDOXKHK-UHFFFAOYSA-N
XLogP3.00
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.41
LogP ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(2-hydroxyethyl)pentyl]-3-iodobenzamide
CID 103722668
3-cyano-N-[2-(2-hydroxyethyl)pentyl]benzamide
CID 103722738
N-(4-amino-2-methylbutyl)-3-propan-2-yloxybenzamide
CID 66090435
N-[2-(2-hydroxyethyl)pentyl]pyridine-3-carboxamide
CID 103722744
N-[2-(2-hydroxyethyl)pentyl]-3,5-dimethylbenzamide
CID 103722617
N-[2-(2-hydroxyethyl)pentyl]-2-(3-methoxyphenyl)acetamide
CID 103722794
3-hydroxy-N-[2-(2-hydroxyethyl)pentyl]-4-methoxybenzamide
CID 103729015
N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]-3-propan-2-yloxybenzamide
CID 114757262
N-(1-cyanobutyl)-3-propan-2-yloxybenzamide
CID 62921514
N-[2-(2-hydroxyethyl)pentyl]pyridine-4-carboxamide
CID 111662354
N-(2-hydroxy-2-methylpentyl)-3-propan-2-yloxybenzamide
CID 106289382
N-[2-(2-hydroxyethyl)pentyl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide
CID 103722801

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-hydroxyethyl)pentyl]-3-propan-2-yloxybenzamide?
The IUPAC name of N-[2-(2-hydroxyethyl)pentyl]-3-propan-2-yloxybenzamide (CID 106115912) is N-[2-(2-hydroxyethyl)pentyl]-3-propan-2-yloxybenzamide.
What is the SMILES notation for N-[2-(2-hydroxyethyl)pentyl]-3-propan-2-yloxybenzamide?
The canonical SMILES for N-[2-(2-hydroxyethyl)pentyl]-3-propan-2-yloxybenzamide is CCCC(CCO)CNC(=O)c1cccc(OC(C)C)c1.
What is the InChIKey of N-[2-(2-hydroxyethyl)pentyl]-3-propan-2-yloxybenzamide?
The InChIKey is HZAQZAXCDOXKHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO3/c1-4-6-14(9-10-19)12-18-17(20)15-7-5-8-16(11-15)21-13(2)3/h5,7-8,11,13-14,19H,4,6,9-10,12H2,1-3H3,(H,18,20).
What are the key properties of N-[2-(2-hydroxyethyl)pentyl]-3-propan-2-yloxybenzamide?
N-[2-(2-hydroxyethyl)pentyl]-3-propan-2-yloxybenzamide has a molecular weight of 293.41 g/mol, XLogP of 3.00, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-hydroxyethyl)pentyl]-3-propan-2-yloxybenzamide is sourced from PubChem (CID 106115912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).