N-[3-(hydroxymethyl)-4-methoxyphenyl]-4-(oxan-4-yl)butanamide

C17H25NO4 — CID 119051199

IUPACN-[3-(hydroxymethyl)-4-methoxyphenyl]-4-(oxan-4-yl)butanamide
SMILESCOc1ccc(NC(=O)CCCC2CCOCC2)cc1CO
InChIInChI=1S/C17H25NO4/c1-21-16-6-5-15(11-14(16)12-19)18-17(20)4-2-3-13-7-9-22-10-8-13/h5-6,11,13,19H,2-4,7-10,12H2,1H3,(H,18,20)
InChIKeyZLAYCSSAPUROCU-UHFFFAOYSA-N
MW307.39 g/mol
LogP2.72
Rot. Bonds7

About N-[3-(hydroxymethyl)-4-methoxyphenyl]-4-(oxan-4-yl)butanamide

N-[3-(hydroxymethyl)-4-methoxyphenyl]-4-(oxan-4-yl)butanamide (PubChem CID 119051199) has the molecular formula C17H25NO4 and a molecular weight of 307.39 g/mol. Its IUPAC name is N-[3-(hydroxymethyl)-4-methoxyphenyl]-4-(oxan-4-yl)butanamide.

Molecular Properties

Compound NameN-[3-(hydroxymethyl)-4-methoxyphenyl]-4-(oxan-4-yl)butanamide
PubChem CID119051199
Molecular FormulaC17H25NO4
Molecular Weight307.39 g/mol
Exact Mass307.18
IUPAC NameN-[3-(hydroxymethyl)-4-methoxyphenyl]-4-(oxan-4-yl)butanamide
SMILESCOc1ccc(NC(=O)CCCC2CCOCC2)cc1CO
InChIInChI=1S/C17H25NO4/c1-21-16-6-5-15(11-14(16)12-19)18-17(20)4-2-3-13-7-9-22-10-8-13/h5-6,11,13,19H,2-4,7-10,12H2,1H3,(H,18,20)
InChIKeyZLAYCSSAPUROCU-UHFFFAOYSA-N
XLogP2.72
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.39
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-amino-4-methoxyphenyl)-3-(oxolan-3-yl)propanamide
CID 119419889
N-[3-(hydroxymethyl)-4-methoxyphenyl]acetamide
CID 82469130
4-amino-N-(3-ethyl-4-methoxyphenyl)butanamide
CID 98784022
N-[4-ethoxy-3-(hydroxymethyl)phenyl]-5-hydroxypentanamide
CID 79191202
3-cyclohexyl-N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)propanamide
CID 43008044
N,N'-bis(3-chloro-4-methoxyphenyl)hexanediamide
CID 4945268
5-hydroxy-N-(4-methoxy-3-methylphenyl)pentanamide
CID 79208943
N-(3,4-dimethoxyphenyl)-3-hydroxypropanamide
CID 94259640
3-bromo-N-(4-methoxy-3-prop-2-enylphenyl)propanamide
CID 59727729
6-amino-N-[4-ethoxy-3-(hydroxymethyl)phenyl]hexanamide
CID 60980339
N-(3-benzyl-4-methoxyphenyl)pentanamide
CID 18128166
[5-(cyclopentylamino)-2-methoxyphenyl]methanol
CID 115744113

Frequently Asked Questions

What is the IUPAC name of N-[3-(hydroxymethyl)-4-methoxyphenyl]-4-(oxan-4-yl)butanamide?
The IUPAC name of N-[3-(hydroxymethyl)-4-methoxyphenyl]-4-(oxan-4-yl)butanamide (CID 119051199) is N-[3-(hydroxymethyl)-4-methoxyphenyl]-4-(oxan-4-yl)butanamide.
What is the SMILES notation for N-[3-(hydroxymethyl)-4-methoxyphenyl]-4-(oxan-4-yl)butanamide?
The canonical SMILES for N-[3-(hydroxymethyl)-4-methoxyphenyl]-4-(oxan-4-yl)butanamide is COc1ccc(NC(=O)CCCC2CCOCC2)cc1CO.
What is the InChIKey of N-[3-(hydroxymethyl)-4-methoxyphenyl]-4-(oxan-4-yl)butanamide?
The InChIKey is ZLAYCSSAPUROCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO4/c1-21-16-6-5-15(11-14(16)12-19)18-17(20)4-2-3-13-7-9-22-10-8-13/h5-6,11,13,19H,2-4,7-10,12H2,1H3,(H,18,20).
What are the key properties of N-[3-(hydroxymethyl)-4-methoxyphenyl]-4-(oxan-4-yl)butanamide?
N-[3-(hydroxymethyl)-4-methoxyphenyl]-4-(oxan-4-yl)butanamide has a molecular weight of 307.39 g/mol, XLogP of 2.72, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(hydroxymethyl)-4-methoxyphenyl]-4-(oxan-4-yl)butanamide is sourced from PubChem (CID 119051199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).