N-(2-hydroxy-1-phenylethyl)azepane-1-carboxamide

C15H22N2O2 — CID 112729485

IUPACN-(2-hydroxy-1-phenylethyl)azepane-1-carboxamide
SMILESO=C(NC(CO)c1ccccc1)N1CCCCCC1
InChIInChI=1S/C15H22N2O2/c18-12-14(13-8-4-3-5-9-13)16-15(19)17-10-6-1-2-7-11-17/h3-5,8-9,14,18H,1-2,6-7,10-12H2,(H,16,19)
InChIKeyHVWZKZPCKOQJDA-UHFFFAOYSA-N
MW262.35 g/mol
LogP2.31
Rot. Bonds3

About N-(2-hydroxy-1-phenylethyl)azepane-1-carboxamide

N-(2-hydroxy-1-phenylethyl)azepane-1-carboxamide (PubChem CID 112729485) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is N-(2-hydroxy-1-phenylethyl)azepane-1-carboxamide.

Molecular Properties

Compound NameN-(2-hydroxy-1-phenylethyl)azepane-1-carboxamide
PubChem CID112729485
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC NameN-(2-hydroxy-1-phenylethyl)azepane-1-carboxamide
SMILESO=C(NC(CO)c1ccccc1)N1CCCCCC1
InChIInChI=1S/C15H22N2O2/c18-12-14(13-8-4-3-5-9-13)16-15(19)17-10-6-1-2-7-11-17/h3-5,8-9,14,18H,1-2,6-7,10-12H2,(H,16,19)
InChIKeyHVWZKZPCKOQJDA-UHFFFAOYSA-N
XLogP2.31
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 ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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N-(1-phenylethyl)pyrrolidine-1-carboxamide
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N-[(1R)-2-hydroxy-1-phenylethyl]-3-pyrrolidin-1-ylpropanamide
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N-(1-hydroxy-3-phenylpropan-2-yl)pyrrolidine-1-carboxamide
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N-(1,2-diphenylethyl)-1,4-thiazepane-4-carboxamide
CID 87000158
N-(2-hydroxy-1-phenylethyl)cyclobutanecarboxamide
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Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxy-1-phenylethyl)azepane-1-carboxamide?
The IUPAC name of N-(2-hydroxy-1-phenylethyl)azepane-1-carboxamide (CID 112729485) is N-(2-hydroxy-1-phenylethyl)azepane-1-carboxamide.
What is the SMILES notation for N-(2-hydroxy-1-phenylethyl)azepane-1-carboxamide?
The canonical SMILES for N-(2-hydroxy-1-phenylethyl)azepane-1-carboxamide is O=C(NC(CO)c1ccccc1)N1CCCCCC1.
What is the InChIKey of N-(2-hydroxy-1-phenylethyl)azepane-1-carboxamide?
The InChIKey is HVWZKZPCKOQJDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2/c18-12-14(13-8-4-3-5-9-13)16-15(19)17-10-6-1-2-7-11-17/h3-5,8-9,14,18H,1-2,6-7,10-12H2,(H,16,19).
What are the key properties of N-(2-hydroxy-1-phenylethyl)azepane-1-carboxamide?
N-(2-hydroxy-1-phenylethyl)azepane-1-carboxamide has a molecular weight of 262.35 g/mol, XLogP of 2.31, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxy-1-phenylethyl)azepane-1-carboxamide is sourced from PubChem (CID 112729485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).