2-ethoxy-N-(3-hydroxy-4-methoxybutyl)benzamide

C14H21NO4 — CID 103876954

IUPAC2-ethoxy-N-(3-hydroxy-4-methoxybutyl)benzamide
SMILESCCOc1ccccc1C(=O)NCCC(O)COC
InChIInChI=1S/C14H21NO4/c1-3-19-13-7-5-4-6-12(13)14(17)15-9-8-11(16)10-18-2/h4-7,11,16H,3,8-10H2,1-2H3,(H,15,17)
InChIKeyXALNNNVXCPEWKG-UHFFFAOYSA-N
MW267.32 g/mol
LogP1.21
Rot. Bonds8

About 2-ethoxy-N-(3-hydroxy-4-methoxybutyl)benzamide

2-ethoxy-N-(3-hydroxy-4-methoxybutyl)benzamide (PubChem CID 103876954) has the molecular formula C14H21NO4 and a molecular weight of 267.32 g/mol. Its IUPAC name is 2-ethoxy-N-(3-hydroxy-4-methoxybutyl)benzamide.

Molecular Properties

Compound Name2-ethoxy-N-(3-hydroxy-4-methoxybutyl)benzamide
PubChem CID103876954
Molecular FormulaC14H21NO4
Molecular Weight267.32 g/mol
Exact Mass267.15
IUPAC Name2-ethoxy-N-(3-hydroxy-4-methoxybutyl)benzamide
SMILESCCOc1ccccc1C(=O)NCCC(O)COC
InChIInChI=1S/C14H21NO4/c1-3-19-13-7-5-4-6-12(13)14(17)15-9-8-11(16)10-18-2/h4-7,11,16H,3,8-10H2,1-2H3,(H,15,17)
InChIKeyXALNNNVXCPEWKG-UHFFFAOYSA-N
XLogP1.21
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.32
LogP ≤ 51.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-bromo-4-methoxybutyl)-2-ethoxybenzamide
CID 106245092
N-(3-aminobutyl)-2-ethoxybenzamide
CID 63253543
2-ethoxy-N-(2-hydroxyethyl)benzamide
CID 4088522
N-(3-hydroxy-4-methoxybutyl)-2-methylpyridine-3-carboxamide
CID 103876978
2-ethoxy-N-[3-(2-methylpropoxy)propyl]benzamide
CID 134042472
2-ethoxy-N-[2-(4-ethoxyphenoxy)ethyl]benzamide
CID 27853054
3-[(2-ethoxybenzoyl)amino]propanoic acid
CID 665917
2-ethoxy-N-[3-(furan-3-yl)-3-hydroxypropyl]benzamide
CID 71804415
3-chloro-N-(3-hydroxy-4-methoxybutyl)-2-methylbenzamide
CID 107168176
N-(3-hydroxy-4-methoxybutyl)-2,4-dimethoxybenzamide
CID 103877168
2-bromo-3-fluoro-N-(3-hydroxy-4-methoxybutyl)benzamide
CID 106243511
N-(4-chlorobutyl)-2-ethoxybenzamide
CID 106845375

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-N-(3-hydroxy-4-methoxybutyl)benzamide?
The IUPAC name of 2-ethoxy-N-(3-hydroxy-4-methoxybutyl)benzamide (CID 103876954) is 2-ethoxy-N-(3-hydroxy-4-methoxybutyl)benzamide.
What is the SMILES notation for 2-ethoxy-N-(3-hydroxy-4-methoxybutyl)benzamide?
The canonical SMILES for 2-ethoxy-N-(3-hydroxy-4-methoxybutyl)benzamide is CCOc1ccccc1C(=O)NCCC(O)COC.
What is the InChIKey of 2-ethoxy-N-(3-hydroxy-4-methoxybutyl)benzamide?
The InChIKey is XALNNNVXCPEWKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO4/c1-3-19-13-7-5-4-6-12(13)14(17)15-9-8-11(16)10-18-2/h4-7,11,16H,3,8-10H2,1-2H3,(H,15,17).
What are the key properties of 2-ethoxy-N-(3-hydroxy-4-methoxybutyl)benzamide?
2-ethoxy-N-(3-hydroxy-4-methoxybutyl)benzamide has a molecular weight of 267.32 g/mol, XLogP of 1.21, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-N-(3-hydroxy-4-methoxybutyl)benzamide is sourced from PubChem (CID 103876954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).