4-ethoxy-N-(4-hydroxypentyl)benzamide

C14H21NO3 — CID 107299822

IUPAC4-ethoxy-N-(4-hydroxypentyl)benzamide
SMILESCCOc1ccc(C(=O)NCCCC(C)O)cc1
InChIInChI=1S/C14H21NO3/c1-3-18-13-8-6-12(7-9-13)14(17)15-10-4-5-11(2)16/h6-9,11,16H,3-5,10H2,1-2H3,(H,15,17)
InChIKeyBXVWGZIJZSNBBC-UHFFFAOYSA-N
MW251.33 g/mol
LogP1.98
Rot. Bonds7

About 4-ethoxy-N-(4-hydroxypentyl)benzamide

4-ethoxy-N-(4-hydroxypentyl)benzamide (PubChem CID 107299822) has the molecular formula C14H21NO3 and a molecular weight of 251.33 g/mol. Its IUPAC name is 4-ethoxy-N-(4-hydroxypentyl)benzamide.

Molecular Properties

Compound Name4-ethoxy-N-(4-hydroxypentyl)benzamide
PubChem CID107299822
Molecular FormulaC14H21NO3
Molecular Weight251.33 g/mol
Exact Mass251.15
IUPAC Name4-ethoxy-N-(4-hydroxypentyl)benzamide
SMILESCCOc1ccc(C(=O)NCCCC(C)O)cc1
InChIInChI=1S/C14H21NO3/c1-3-18-13-8-6-12(7-9-13)14(17)15-10-4-5-11(2)16/h6-9,11,16H,3-5,10H2,1-2H3,(H,15,17)
InChIKeyBXVWGZIJZSNBBC-UHFFFAOYSA-N
XLogP1.98
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-decyl-4-ethoxybenzamide
CID 4123784
4-hydroxy-N-(4-hydroxypentyl)benzamide
CID 107300182
4-ethoxy-N-[3-[3-[(4-ethoxybenzoyl)amino]propyl-methylamino]propyl]benzamide
CID 17296274
4-(dimethylamino)-N-(4-hydroxypentyl)benzamide
CID 107329726
4-(2-methylpropoxy)-N-[3-[[4-(2-methylpropoxy)benzoyl]amino]propyl]benzamide
CID 4938333
4-ethoxy-N-[2-(methanesulfonamido)ethyl]benzamide
CID 108572051
N-[2-[(4-ethoxybenzoyl)amino]ethyl]pyridine-4-carboxamide
CID 108540562
4-(2-methylpropoxy)-N-[8-[[4-(2-methylpropoxy)benzoyl]amino]octyl]benzamide
CID 17233376
4-(carbamoylamino)-N-(4-hydroxypentyl)benzamide
CID 107300353
N-[2-(butylamino)-2-oxoethyl]-4-ethoxybenzamide
CID 34231237
N-[2-(dimethylcarbamoylamino)ethyl]-4-ethoxybenzamide
CID 108572043
N-(2,3-dihydroxypropyl)-4-ethoxybenzamide
CID 66176423

Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-N-(4-hydroxypentyl)benzamide?
The IUPAC name of 4-ethoxy-N-(4-hydroxypentyl)benzamide (CID 107299822) is 4-ethoxy-N-(4-hydroxypentyl)benzamide.
What is the SMILES notation for 4-ethoxy-N-(4-hydroxypentyl)benzamide?
The canonical SMILES for 4-ethoxy-N-(4-hydroxypentyl)benzamide is CCOc1ccc(C(=O)NCCCC(C)O)cc1.
What is the InChIKey of 4-ethoxy-N-(4-hydroxypentyl)benzamide?
The InChIKey is BXVWGZIJZSNBBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO3/c1-3-18-13-8-6-12(7-9-13)14(17)15-10-4-5-11(2)16/h6-9,11,16H,3-5,10H2,1-2H3,(H,15,17).
What are the key properties of 4-ethoxy-N-(4-hydroxypentyl)benzamide?
4-ethoxy-N-(4-hydroxypentyl)benzamide has a molecular weight of 251.33 g/mol, XLogP of 1.98, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-N-(4-hydroxypentyl)benzamide is sourced from PubChem (CID 107299822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).