2-[2-methoxy-4-[(2-methyl-1,4-oxazepan-4-yl)methyl]phenoxy]acetamide

C16H24N2O4 — CID 77084796

IUPAC2-[2-methoxy-4-[(2-methyl-1,4-oxazepan-4-yl)methyl]phenoxy]acetamide
SMILESCOc1cc(CN2CCCOC(C)C2)ccc1OCC(N)=O
InChIInChI=1S/C16H24N2O4/c1-12-9-18(6-3-7-21-12)10-13-4-5-14(15(8-13)20-2)22-11-16(17)19/h4-5,8,12H,3,6-7,9-11H2,1-2H3,(H2,17,19)
InChIKeyKNRHCEKFZKRLDM-UHFFFAOYSA-N
MW308.38 g/mol
LogP1.17
Rot. Bonds6

About 2-[2-methoxy-4-[(2-methyl-1,4-oxazepan-4-yl)methyl]phenoxy]acetamide

2-[2-methoxy-4-[(2-methyl-1,4-oxazepan-4-yl)methyl]phenoxy]acetamide (PubChem CID 77084796) has the molecular formula C16H24N2O4 and a molecular weight of 308.38 g/mol. Its IUPAC name is 2-[2-methoxy-4-[(2-methyl-1,4-oxazepan-4-yl)methyl]phenoxy]acetamide.

Molecular Properties

Compound Name2-[2-methoxy-4-[(2-methyl-1,4-oxazepan-4-yl)methyl]phenoxy]acetamide
PubChem CID77084796
Molecular FormulaC16H24N2O4
Molecular Weight308.38 g/mol
Exact Mass308.17
IUPAC Name2-[2-methoxy-4-[(2-methyl-1,4-oxazepan-4-yl)methyl]phenoxy]acetamide
SMILESCOc1cc(CN2CCCOC(C)C2)ccc1OCC(N)=O
InChIInChI=1S/C16H24N2O4/c1-12-9-18(6-3-7-21-12)10-13-4-5-14(15(8-13)20-2)22-11-16(17)19/h4-5,8,12H,3,6-7,9-11H2,1-2H3,(H2,17,19)
InChIKeyKNRHCEKFZKRLDM-UHFFFAOYSA-N
XLogP1.17
TPSA74.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.38
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-methoxy-4-[(2-methyl-1,4-oxazepan-4-yl)methyl]phenol
CID 82980162
2-methoxy-5-[(2-methyl-1,4-oxazepan-4-yl)methyl]aniline
CID 62987382
N'-hydroxy-2-methoxy-4-[(2-methyl-1,4-oxazepan-4-yl)methyl]benzenecarboximidamide
CID 106789382
2,6-dimethoxy-4-[(2-methyl-1,4-oxazepan-4-yl)methyl]phenol
CID 82980019
2-[4-[[(4aS,8aR)-3-oxo-4,4a,5,7,8,8a-hexahydropyrido[4,3-b][1,4]oxazin-6-yl]methyl]-2-methoxyphenoxy]acetamide
CID 110135846
2-methoxy-5-[(2-methylmorpholin-4-yl)methyl]benzenecarbothioamide
CID 65339348
2-[2-methoxy-4-[[(2S)-2-[6-(pyridin-2-ylamino)-2-pyridinyl]morpholin-4-yl]methyl]phenoxy]acetamide
CID 125013560
2-[2-methoxy-4-[[(2R)-2-[6-(1H-pyrazol-4-yl)-2-pyridinyl]morpholin-4-yl]methyl]phenoxy]acetamide
CID 124981115
2-[2-methoxy-4-[[(3R)-3-methoxypiperidin-1-yl]methyl]phenoxy]acetic acid
CID 125443053
N'-hydroxy-2-methoxy-4-[(2-methylmorpholin-4-yl)methyl]benzenecarboximidamide
CID 106789290
2-[2-methoxy-4-[[(3S)-3-(6-oxo-2-pyridin-4-yl-1H-pyrimidin-4-yl)piperidin-1-yl]methyl]phenoxy]acetamide
CID 136673512
4-[(3-bromo-4-methoxyphenyl)methyl]-2-methylmorpholine
CID 60705276

Frequently Asked Questions

What is the IUPAC name of 2-[2-methoxy-4-[(2-methyl-1,4-oxazepan-4-yl)methyl]phenoxy]acetamide?
The IUPAC name of 2-[2-methoxy-4-[(2-methyl-1,4-oxazepan-4-yl)methyl]phenoxy]acetamide (CID 77084796) is 2-[2-methoxy-4-[(2-methyl-1,4-oxazepan-4-yl)methyl]phenoxy]acetamide.
What is the SMILES notation for 2-[2-methoxy-4-[(2-methyl-1,4-oxazepan-4-yl)methyl]phenoxy]acetamide?
The canonical SMILES for 2-[2-methoxy-4-[(2-methyl-1,4-oxazepan-4-yl)methyl]phenoxy]acetamide is COc1cc(CN2CCCOC(C)C2)ccc1OCC(N)=O.
What is the InChIKey of 2-[2-methoxy-4-[(2-methyl-1,4-oxazepan-4-yl)methyl]phenoxy]acetamide?
The InChIKey is KNRHCEKFZKRLDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O4/c1-12-9-18(6-3-7-21-12)10-13-4-5-14(15(8-13)20-2)22-11-16(17)19/h4-5,8,12H,3,6-7,9-11H2,1-2H3,(H2,17,19).
What are the key properties of 2-[2-methoxy-4-[(2-methyl-1,4-oxazepan-4-yl)methyl]phenoxy]acetamide?
2-[2-methoxy-4-[(2-methyl-1,4-oxazepan-4-yl)methyl]phenoxy]acetamide has a molecular weight of 308.38 g/mol, XLogP of 1.17, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-methoxy-4-[(2-methyl-1,4-oxazepan-4-yl)methyl]phenoxy]acetamide is sourced from PubChem (CID 77084796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).