3-[6-hydroxy-6-[(2-methylphenoxy)methyl]-1,4-oxazepan-4-yl]propanamide

C16H24N2O4 — CID 132948174

IUPAC3-[6-hydroxy-6-[(2-methylphenoxy)methyl]-1,4-oxazepan-4-yl]propanamide
SMILESCc1ccccc1OCC1(O)COCCN(CCC(N)=O)C1
InChIInChI=1S/C16H24N2O4/c1-13-4-2-3-5-14(13)22-12-16(20)10-18(7-6-15(17)19)8-9-21-11-16/h2-5,20H,6-12H2,1H3,(H2,17,19)
InChIKeyACTDDBXFSBYZEV-UHFFFAOYSA-N
MW308.38 g/mol
LogP0.31
Rot. Bonds6

About 3-[6-hydroxy-6-[(2-methylphenoxy)methyl]-1,4-oxazepan-4-yl]propanamide

3-[6-hydroxy-6-[(2-methylphenoxy)methyl]-1,4-oxazepan-4-yl]propanamide (PubChem CID 132948174) has the molecular formula C16H24N2O4 and a molecular weight of 308.38 g/mol. Its IUPAC name is 3-[6-hydroxy-6-[(2-methylphenoxy)methyl]-1,4-oxazepan-4-yl]propanamide.

Molecular Properties

Compound Name3-[6-hydroxy-6-[(2-methylphenoxy)methyl]-1,4-oxazepan-4-yl]propanamide
PubChem CID132948174
Molecular FormulaC16H24N2O4
Molecular Weight308.38 g/mol
Exact Mass308.17
IUPAC Name3-[6-hydroxy-6-[(2-methylphenoxy)methyl]-1,4-oxazepan-4-yl]propanamide
SMILESCc1ccccc1OCC1(O)COCCN(CCC(N)=O)C1
InChIInChI=1S/C16H24N2O4/c1-13-4-2-3-5-14(13)22-12-16(20)10-18(7-6-15(17)19)8-9-21-11-16/h2-5,20H,6-12H2,1H3,(H2,17,19)
InChIKeyACTDDBXFSBYZEV-UHFFFAOYSA-N
XLogP0.31
TPSA85.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.38
LogP ≤ 50.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-[6-hydroxy-6-[(4-methylphenoxy)methyl]-1,4-oxazepan-4-yl]propanamide
CID 132948175
[6-hydroxy-6-[(2-methylphenoxy)methyl]-1,4-oxazepan-4-yl]-(1-methylimidazol-4-yl)methanone
CID 132764680
4-[(2-ethyl-5-methyl-1H-imidazol-4-yl)methyl]-6-[(2-methylphenoxy)methyl]-1,4-oxazepan-6-ol
CID 132765235
1-[6-hydroxy-6-[(2-methylphenoxy)methyl]-1,4-oxazepan-4-yl]-3-imidazol-1-ylpropan-1-one
CID 132765216
4-(1-ethylpiperidin-4-yl)-6-[(2-methylphenoxy)methyl]-1,4-oxazepan-6-ol
CID 132777404
(2,5-dimethyl-1,3-thiazol-4-yl)-[6-hydroxy-6-[(2-methylphenoxy)methyl]-1,4-oxazepan-4-yl]methanone
CID 155992819
4-(2-hydroxyethyl)-6-[(4-methylphenoxy)methyl]-1,4-oxazepan-6-ol
CID 132775657
[6-hydroxy-6-[(2-methylphenoxy)methyl]-1,4-oxazepan-4-yl]-(5-propyl-1H-pyrazol-3-yl)methanone
CID 155992805
4-[(2-methylpyrimidin-5-yl)methyl]-6-(phenoxymethyl)-1,4-oxazepan-6-ol
CID 132764150
3-[(2-methylphenoxy)methyl]-1-(oxan-4-ylmethyl)piperidin-3-ol
CID 132948444
4-[6-(2-methylphenoxy)hexyl]morpholine
CID 5114307
ethane;4-[2-(2-methylphenoxy)ethyl]morpholine
CID 144752549

Frequently Asked Questions

What is the IUPAC name of 3-[6-hydroxy-6-[(2-methylphenoxy)methyl]-1,4-oxazepan-4-yl]propanamide?
The IUPAC name of 3-[6-hydroxy-6-[(2-methylphenoxy)methyl]-1,4-oxazepan-4-yl]propanamide (CID 132948174) is 3-[6-hydroxy-6-[(2-methylphenoxy)methyl]-1,4-oxazepan-4-yl]propanamide.
What is the SMILES notation for 3-[6-hydroxy-6-[(2-methylphenoxy)methyl]-1,4-oxazepan-4-yl]propanamide?
The canonical SMILES for 3-[6-hydroxy-6-[(2-methylphenoxy)methyl]-1,4-oxazepan-4-yl]propanamide is Cc1ccccc1OCC1(O)COCCN(CCC(N)=O)C1.
What is the InChIKey of 3-[6-hydroxy-6-[(2-methylphenoxy)methyl]-1,4-oxazepan-4-yl]propanamide?
The InChIKey is ACTDDBXFSBYZEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O4/c1-13-4-2-3-5-14(13)22-12-16(20)10-18(7-6-15(17)19)8-9-21-11-16/h2-5,20H,6-12H2,1H3,(H2,17,19).
What are the key properties of 3-[6-hydroxy-6-[(2-methylphenoxy)methyl]-1,4-oxazepan-4-yl]propanamide?
3-[6-hydroxy-6-[(2-methylphenoxy)methyl]-1,4-oxazepan-4-yl]propanamide has a molecular weight of 308.38 g/mol, XLogP of 0.31, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[6-hydroxy-6-[(2-methylphenoxy)methyl]-1,4-oxazepan-4-yl]propanamide is sourced from PubChem (CID 132948174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).