(6R)-6-methoxy-N-(3-methoxyphenyl)-1,4-oxazepane-4-carboxamide

C14H20N2O4 — CID 75536887

IUPAC(6R)-6-methoxy-N-(3-methoxyphenyl)-1,4-oxazepane-4-carboxamide
SMILESCOc1cccc(NC(=O)N2CCOC[C@H](OC)C2)c1
InChIInChI=1S/C14H20N2O4/c1-18-12-5-3-4-11(8-12)15-14(17)16-6-7-20-10-13(9-16)19-2/h3-5,8,13H,6-7,9-10H2,1-2H3,(H,15,17)/t13-/m1/s1
InChIKeyBIFCDVULKDWXFD-CYBMUJFWSA-N
MW280.32 g/mol
LogP1.57
Rot. Bonds3

About (6R)-6-methoxy-N-(3-methoxyphenyl)-1,4-oxazepane-4-carboxamide

(6R)-6-methoxy-N-(3-methoxyphenyl)-1,4-oxazepane-4-carboxamide (PubChem CID 75536887) has the molecular formula C14H20N2O4 and a molecular weight of 280.32 g/mol. Its IUPAC name is (6R)-6-methoxy-N-(3-methoxyphenyl)-1,4-oxazepane-4-carboxamide.

Molecular Properties

Compound Name(6R)-6-methoxy-N-(3-methoxyphenyl)-1,4-oxazepane-4-carboxamide
PubChem CID75536887
Molecular FormulaC14H20N2O4
Molecular Weight280.32 g/mol
Exact Mass280.14
IUPAC Name(6R)-6-methoxy-N-(3-methoxyphenyl)-1,4-oxazepane-4-carboxamide
SMILESCOc1cccc(NC(=O)N2CCOC[C@H](OC)C2)c1
InChIInChI=1S/C14H20N2O4/c1-18-12-5-3-4-11(8-12)15-14(17)16-6-7-20-10-13(9-16)19-2/h3-5,8,13H,6-7,9-10H2,1-2H3,(H,15,17)/t13-/m1/s1
InChIKeyBIFCDVULKDWXFD-CYBMUJFWSA-N
XLogP1.57
TPSA60.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.32
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(6-methoxy-1,4-oxazepan-4-yl)-(3-methoxyphenyl)methanone
CID 162818233
(3R)-3-hydroxy-N-(3-methoxyphenyl)pyrrolidine-1-carboxamide
CID 63362733
2-(4-fluorophenyl)-N-(3-methoxyphenyl)morpholine-4-carboxamide
CID 84524231
3-hydroxy-N-(3-methoxyphenyl)-4-methylpiperidine-1-carboxamide
CID 103896298
4-(hydroxymethyl)-N-(3-methoxyphenyl)piperidine-1-carboxamide
CID 61320986
N-(3-methoxyphenyl)-3-(6-methoxypyridazin-3-yl)oxypyrrolidine-1-carboxamide
CID 90639316
(3R,4S)-4-tert-butyl-3-hydroxy-N-(3-methoxyphenyl)piperidine-1-carboxamide
CID 97261232
4-tert-butyl-3-hydroxy-N-(3-methoxyphenyl)piperidine-1-carboxamide
CID 75449592
N-[3-(morpholine-4-carbonylamino)phenyl]morpholine-4-carboxamide
CID 171576986
N-(3-methoxyphenyl)-3-pyridin-2-yloxyazetidine-1-carboxamide
CID 122247293
3-[(3-chloro-2-pyridinyl)oxy]-N-(3-methoxyphenyl)azetidine-1-carboxamide
CID 122248088
4-tert-butyl-N-(3-methoxyphenyl)piperazine-1-carboxamide
CID 113110333

Frequently Asked Questions

What is the IUPAC name of (6R)-6-methoxy-N-(3-methoxyphenyl)-1,4-oxazepane-4-carboxamide?
The IUPAC name of (6R)-6-methoxy-N-(3-methoxyphenyl)-1,4-oxazepane-4-carboxamide (CID 75536887) is (6R)-6-methoxy-N-(3-methoxyphenyl)-1,4-oxazepane-4-carboxamide.
What is the SMILES notation for (6R)-6-methoxy-N-(3-methoxyphenyl)-1,4-oxazepane-4-carboxamide?
The canonical SMILES for (6R)-6-methoxy-N-(3-methoxyphenyl)-1,4-oxazepane-4-carboxamide is COc1cccc(NC(=O)N2CCOC[C@H](OC)C2)c1.
What is the InChIKey of (6R)-6-methoxy-N-(3-methoxyphenyl)-1,4-oxazepane-4-carboxamide?
The InChIKey is BIFCDVULKDWXFD-CYBMUJFWSA-N. The full InChI is InChI=1S/C14H20N2O4/c1-18-12-5-3-4-11(8-12)15-14(17)16-6-7-20-10-13(9-16)19-2/h3-5,8,13H,6-7,9-10H2,1-2H3,(H,15,17)/t13-/m1/s1.
What are the key properties of (6R)-6-methoxy-N-(3-methoxyphenyl)-1,4-oxazepane-4-carboxamide?
(6R)-6-methoxy-N-(3-methoxyphenyl)-1,4-oxazepane-4-carboxamide has a molecular weight of 280.32 g/mol, XLogP of 1.57, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (6R)-6-methoxy-N-(3-methoxyphenyl)-1,4-oxazepane-4-carboxamide is sourced from PubChem (CID 75536887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).