N-[[4-(2-methoxyphenyl)oxan-4-yl]methyl]cyclopropanecarboxamide

C17H23NO3 — CID 27449334

IUPACN-[[4-(2-methoxyphenyl)oxan-4-yl]methyl]cyclopropanecarboxamide
SMILESCOc1ccccc1C1(CNC(=O)C2CC2)CCOCC1
InChIInChI=1S/C17H23NO3/c1-20-15-5-3-2-4-14(15)17(8-10-21-11-9-17)12-18-16(19)13-6-7-13/h2-5,13H,6-12H2,1H3,(H,18,19)
InChIKeyCZMVPRFKHHLGFE-UHFFFAOYSA-N
MW289.37 g/mol
LogP2.27
Rot. Bonds5

About N-[[4-(2-methoxyphenyl)oxan-4-yl]methyl]cyclopropanecarboxamide

N-[[4-(2-methoxyphenyl)oxan-4-yl]methyl]cyclopropanecarboxamide (PubChem CID 27449334) has the molecular formula C17H23NO3 and a molecular weight of 289.37 g/mol. Its IUPAC name is N-[[4-(2-methoxyphenyl)oxan-4-yl]methyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[[4-(2-methoxyphenyl)oxan-4-yl]methyl]cyclopropanecarboxamide
PubChem CID27449334
Molecular FormulaC17H23NO3
Molecular Weight289.37 g/mol
Exact Mass289.17
IUPAC NameN-[[4-(2-methoxyphenyl)oxan-4-yl]methyl]cyclopropanecarboxamide
SMILESCOc1ccccc1C1(CNC(=O)C2CC2)CCOCC1
InChIInChI=1S/C17H23NO3/c1-20-15-5-3-2-4-14(15)17(8-10-21-11-9-17)12-18-16(19)13-6-7-13/h2-5,13H,6-12H2,1H3,(H,18,19)
InChIKeyCZMVPRFKHHLGFE-UHFFFAOYSA-N
XLogP2.27
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.37
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-methoxy-N-[[4-(2-methoxyphenyl)oxan-4-yl]methyl]benzamide
CID 27449238
methyl (E)-4-[[4-(2-methoxyphenyl)oxan-4-yl]methylamino]-4-oxobut-2-enoate
CID 146099557
3,4,5-trimethoxy-N-[[4-(2-methoxyphenyl)oxan-4-yl]methyl]benzamide
CID 27449244
3,4-dimethoxy-N-[[4-(2-methoxyphenyl)oxan-4-yl]methyl]benzamide
CID 27449461
2-amino-N-[[1-(2-methoxyphenyl)cyclopropyl]methyl]-2-(oxan-4-yl)acetamide
CID 120791308
N'-[[4-(2-methoxyphenyl)oxan-4-yl]methyl]-N-[(4-methylphenyl)methyl]oxamide
CID 27452518
trans-(1R,3R)-3-amino-N-[[4-(5-chloro-2-methoxyphenyl)oxan-4-yl]methyl]cyclopentane-1-carboxamide
CID 124687322
cis-(1S,3R)-3-amino-N-[[4-(5-chloro-2-methoxyphenyl)oxan-4-yl]methyl]cyclopentane-1-carboxamide
CID 124687340
N-[[1-(2-methoxyphenyl)cyclopropyl]methyl]-2-oxoimidazolidine-4-carboxamide
CID 71877790
2-amino-N-[[1-(2-methoxyphenyl)cyclopropyl]methyl]-2-(oxan-4-yl)acetamide;hydrochloride
CID 120791307
3-chloro-N-[[4-(2-methoxyphenyl)oxan-4-yl]methyl]benzamide
CID 27449405
3-bromo-N-[[4-(2-methoxyphenyl)oxan-4-yl]methyl]benzamide
CID 27449390

Frequently Asked Questions

What is the IUPAC name of N-[[4-(2-methoxyphenyl)oxan-4-yl]methyl]cyclopropanecarboxamide?
The IUPAC name of N-[[4-(2-methoxyphenyl)oxan-4-yl]methyl]cyclopropanecarboxamide (CID 27449334) is N-[[4-(2-methoxyphenyl)oxan-4-yl]methyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[[4-(2-methoxyphenyl)oxan-4-yl]methyl]cyclopropanecarboxamide?
The canonical SMILES for N-[[4-(2-methoxyphenyl)oxan-4-yl]methyl]cyclopropanecarboxamide is COc1ccccc1C1(CNC(=O)C2CC2)CCOCC1.
What is the InChIKey of N-[[4-(2-methoxyphenyl)oxan-4-yl]methyl]cyclopropanecarboxamide?
The InChIKey is CZMVPRFKHHLGFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO3/c1-20-15-5-3-2-4-14(15)17(8-10-21-11-9-17)12-18-16(19)13-6-7-13/h2-5,13H,6-12H2,1H3,(H,18,19).
What are the key properties of N-[[4-(2-methoxyphenyl)oxan-4-yl]methyl]cyclopropanecarboxamide?
N-[[4-(2-methoxyphenyl)oxan-4-yl]methyl]cyclopropanecarboxamide has a molecular weight of 289.37 g/mol, XLogP of 2.27, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(2-methoxyphenyl)oxan-4-yl]methyl]cyclopropanecarboxamide is sourced from PubChem (CID 27449334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).