N-(2-phenyloxan-4-yl)azepane-1-carboxamide

C18H26N2O2 — CID 127265698

IUPACN-(2-phenyloxan-4-yl)azepane-1-carboxamide
SMILESO=C(NC1CCOC(c2ccccc2)C1)N1CCCCCC1
InChIInChI=1S/C18H26N2O2/c21-18(20-11-6-1-2-7-12-20)19-16-10-13-22-17(14-16)15-8-4-3-5-9-15/h3-5,8-9,16-17H,1-2,6-7,10-14H2,(H,19,21)
InChIKeyJKLNJWIWMPGNDF-UHFFFAOYSA-N
MW302.42 g/mol
LogP3.49
Rot. Bonds2

About N-(2-phenyloxan-4-yl)azepane-1-carboxamide

N-(2-phenyloxan-4-yl)azepane-1-carboxamide (PubChem CID 127265698) has the molecular formula C18H26N2O2 and a molecular weight of 302.42 g/mol. Its IUPAC name is N-(2-phenyloxan-4-yl)azepane-1-carboxamide.

Molecular Properties

Compound NameN-(2-phenyloxan-4-yl)azepane-1-carboxamide
PubChem CID127265698
Molecular FormulaC18H26N2O2
Molecular Weight302.42 g/mol
Exact Mass302.20
IUPAC NameN-(2-phenyloxan-4-yl)azepane-1-carboxamide
SMILESO=C(NC1CCOC(c2ccccc2)C1)N1CCCCCC1
InChIInChI=1S/C18H26N2O2/c21-18(20-11-6-1-2-7-12-20)19-16-10-13-22-17(14-16)15-8-4-3-5-9-15/h3-5,8-9,16-17H,1-2,6-7,10-14H2,(H,19,21)
InChIKeyJKLNJWIWMPGNDF-UHFFFAOYSA-N
XLogP3.49
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.42
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(2-phenyloxan-4-yl)azepane-1-carboxamide?
The IUPAC name of N-(2-phenyloxan-4-yl)azepane-1-carboxamide (CID 127265698) is N-(2-phenyloxan-4-yl)azepane-1-carboxamide.
What is the SMILES notation for N-(2-phenyloxan-4-yl)azepane-1-carboxamide?
The canonical SMILES for N-(2-phenyloxan-4-yl)azepane-1-carboxamide is O=C(NC1CCOC(c2ccccc2)C1)N1CCCCCC1.
What is the InChIKey of N-(2-phenyloxan-4-yl)azepane-1-carboxamide?
The InChIKey is JKLNJWIWMPGNDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O2/c21-18(20-11-6-1-2-7-12-20)19-16-10-13-22-17(14-16)15-8-4-3-5-9-15/h3-5,8-9,16-17H,1-2,6-7,10-14H2,(H,19,21).
What are the key properties of N-(2-phenyloxan-4-yl)azepane-1-carboxamide?
N-(2-phenyloxan-4-yl)azepane-1-carboxamide has a molecular weight of 302.42 g/mol, XLogP of 3.49, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-phenyloxan-4-yl)azepane-1-carboxamide is sourced from PubChem (CID 127265698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).