N-(3-hydroxy-4-methoxybutyl)-4-(propan-2-yloxymethyl)benzamide

C16H25NO4 — CID 103877317

IUPACN-(3-hydroxy-4-methoxybutyl)-4-(propan-2-yloxymethyl)benzamide
SMILESCOCC(O)CCNC(=O)c1ccc(COC(C)C)cc1
InChIInChI=1S/C16H25NO4/c1-12(2)21-10-13-4-6-14(7-5-13)16(19)17-9-8-15(18)11-20-3/h4-7,12,15,18H,8-11H2,1-3H3,(H,17,19)
InChIKeyKDMUZFBNIKKONH-UHFFFAOYSA-N
MW295.38 g/mol
LogP1.74
Rot. Bonds9

About N-(3-hydroxy-4-methoxybutyl)-4-(propan-2-yloxymethyl)benzamide

N-(3-hydroxy-4-methoxybutyl)-4-(propan-2-yloxymethyl)benzamide (PubChem CID 103877317) has the molecular formula C16H25NO4 and a molecular weight of 295.38 g/mol. Its IUPAC name is N-(3-hydroxy-4-methoxybutyl)-4-(propan-2-yloxymethyl)benzamide.

Molecular Properties

Compound NameN-(3-hydroxy-4-methoxybutyl)-4-(propan-2-yloxymethyl)benzamide
PubChem CID103877317
Molecular FormulaC16H25NO4
Molecular Weight295.38 g/mol
Exact Mass295.18
IUPAC NameN-(3-hydroxy-4-methoxybutyl)-4-(propan-2-yloxymethyl)benzamide
SMILESCOCC(O)CCNC(=O)c1ccc(COC(C)C)cc1
InChIInChI=1S/C16H25NO4/c1-12(2)21-10-13-4-6-14(7-5-13)16(19)17-9-8-15(18)11-20-3/h4-7,12,15,18H,8-11H2,1-3H3,(H,17,19)
InChIKeyKDMUZFBNIKKONH-UHFFFAOYSA-N
XLogP1.74
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.38
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-hydroxypentyl)-4-(propan-2-yloxymethyl)benzamide
CID 115700661
N-(3-hydroxy-4-methoxybutyl)-6-methoxypyridine-3-carboxamide
CID 103877604
N-(3-hydroxy-4-methoxybutyl)-6-oxo-1H-pyridine-3-carboxamide
CID 103877366
4-(propan-2-yloxymethyl)-N-(3,3,3-trifluoro-2-hydroxypropyl)benzamide
CID 103726179
4-fluoro-N-(3-hydroxy-4-methoxybutyl)-3-sulfanylbenzamide
CID 106248577
4-amino-N-(3-hydroxy-4-methoxybutyl)-3-iodobenzamide
CID 112750978
4-amino-3-chloro-N-(3-hydroxy-4-methoxybutyl)benzamide
CID 114162951
3-amino-4-bromo-N-(3-hydroxy-4-methoxybutyl)benzamide
CID 114162952
3-(chloromethyl)-N-(3-hydroxy-4-methoxybutyl)benzamide
CID 106246225
N-(3-hydroxy-4-methoxybutyl)-1H-indole-6-carboxamide
CID 103877617
4-(chloromethyl)-N-(2-propan-2-yloxyethyl)benzamide
CID 104759817
N'-(4-chlorobenzoyl)-4-(propan-2-yloxymethyl)benzohydrazide
CID 8621672

Frequently Asked Questions

What is the IUPAC name of N-(3-hydroxy-4-methoxybutyl)-4-(propan-2-yloxymethyl)benzamide?
The IUPAC name of N-(3-hydroxy-4-methoxybutyl)-4-(propan-2-yloxymethyl)benzamide (CID 103877317) is N-(3-hydroxy-4-methoxybutyl)-4-(propan-2-yloxymethyl)benzamide.
What is the SMILES notation for N-(3-hydroxy-4-methoxybutyl)-4-(propan-2-yloxymethyl)benzamide?
The canonical SMILES for N-(3-hydroxy-4-methoxybutyl)-4-(propan-2-yloxymethyl)benzamide is COCC(O)CCNC(=O)c1ccc(COC(C)C)cc1.
What is the InChIKey of N-(3-hydroxy-4-methoxybutyl)-4-(propan-2-yloxymethyl)benzamide?
The InChIKey is KDMUZFBNIKKONH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO4/c1-12(2)21-10-13-4-6-14(7-5-13)16(19)17-9-8-15(18)11-20-3/h4-7,12,15,18H,8-11H2,1-3H3,(H,17,19).
What are the key properties of N-(3-hydroxy-4-methoxybutyl)-4-(propan-2-yloxymethyl)benzamide?
N-(3-hydroxy-4-methoxybutyl)-4-(propan-2-yloxymethyl)benzamide has a molecular weight of 295.38 g/mol, XLogP of 1.74, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-hydroxy-4-methoxybutyl)-4-(propan-2-yloxymethyl)benzamide is sourced from PubChem (CID 103877317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).