N-[4-(2-hydroxyethyl)phenyl]azepane-1-carboxamide

C15H22N2O2 — CID 79152025

IUPACN-[4-(2-hydroxyethyl)phenyl]azepane-1-carboxamide
SMILESO=C(Nc1ccc(CCO)cc1)N1CCCCCC1
InChIInChI=1S/C15H22N2O2/c18-12-9-13-5-7-14(8-6-13)16-15(19)17-10-3-1-2-4-11-17/h5-8,18H,1-4,9-12H2,(H,16,19)
InChIKeyMERBPCUJAYXLQF-UHFFFAOYSA-N
MW262.35 g/mol
LogP2.63
Rot. Bonds3

About N-[4-(2-hydroxyethyl)phenyl]azepane-1-carboxamide

N-[4-(2-hydroxyethyl)phenyl]azepane-1-carboxamide (PubChem CID 79152025) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is N-[4-(2-hydroxyethyl)phenyl]azepane-1-carboxamide.

Molecular Properties

Compound NameN-[4-(2-hydroxyethyl)phenyl]azepane-1-carboxamide
PubChem CID79152025
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC NameN-[4-(2-hydroxyethyl)phenyl]azepane-1-carboxamide
SMILESO=C(Nc1ccc(CCO)cc1)N1CCCCCC1
InChIInChI=1S/C15H22N2O2/c18-12-9-13-5-7-14(8-6-13)16-15(19)17-10-3-1-2-4-11-17/h5-8,18H,1-4,9-12H2,(H,16,19)
InChIKeyMERBPCUJAYXLQF-UHFFFAOYSA-N
XLogP2.63
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of N-[4-(2-hydroxyethyl)phenyl]azepane-1-carboxamide?
The IUPAC name of N-[4-(2-hydroxyethyl)phenyl]azepane-1-carboxamide (CID 79152025) is N-[4-(2-hydroxyethyl)phenyl]azepane-1-carboxamide.
What is the SMILES notation for N-[4-(2-hydroxyethyl)phenyl]azepane-1-carboxamide?
The canonical SMILES for N-[4-(2-hydroxyethyl)phenyl]azepane-1-carboxamide is O=C(Nc1ccc(CCO)cc1)N1CCCCCC1.
What is the InChIKey of N-[4-(2-hydroxyethyl)phenyl]azepane-1-carboxamide?
The InChIKey is MERBPCUJAYXLQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2/c18-12-9-13-5-7-14(8-6-13)16-15(19)17-10-3-1-2-4-11-17/h5-8,18H,1-4,9-12H2,(H,16,19).
What are the key properties of N-[4-(2-hydroxyethyl)phenyl]azepane-1-carboxamide?
N-[4-(2-hydroxyethyl)phenyl]azepane-1-carboxamide has a molecular weight of 262.35 g/mol, XLogP of 2.63, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-hydroxyethyl)phenyl]azepane-1-carboxamide is sourced from PubChem (CID 79152025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).