4-[benzyl(2-hydroxyethyl)amino]azepan-2-one

C15H22N2O2 — CID 63888503

IUPAC4-[benzyl(2-hydroxyethyl)amino]azepan-2-one
SMILESO=C1CC(N(CCO)Cc2ccccc2)CCCN1
InChIInChI=1S/C15H22N2O2/c18-10-9-17(12-13-5-2-1-3-6-13)14-7-4-8-16-15(19)11-14/h1-3,5-6,14,18H,4,7-12H2,(H,16,19)
InChIKeyIIXOFZKTPNKUAO-UHFFFAOYSA-N
MW262.35 g/mol
LogP1.15
Rot. Bonds5

About 4-[benzyl(2-hydroxyethyl)amino]azepan-2-one

4-[benzyl(2-hydroxyethyl)amino]azepan-2-one (PubChem CID 63888503) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is 4-[benzyl(2-hydroxyethyl)amino]azepan-2-one.

Molecular Properties

Compound Name4-[benzyl(2-hydroxyethyl)amino]azepan-2-one
PubChem CID63888503
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC Name4-[benzyl(2-hydroxyethyl)amino]azepan-2-one
SMILESO=C1CC(N(CCO)Cc2ccccc2)CCCN1
InChIInChI=1S/C15H22N2O2/c18-10-9-17(12-13-5-2-1-3-6-13)14-7-4-8-16-15(19)11-14/h1-3,5-6,14,18H,4,7-12H2,(H,16,19)
InChIKeyIIXOFZKTPNKUAO-UHFFFAOYSA-N
XLogP1.15
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 51.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[3-aminopropyl(benzyl)amino]azepan-2-one
CID 107367035
2-[cyclobutyl-[(4-fluorophenyl)methyl]amino]ethanol
CID 102676667
2-[cyclopentyl(pyridin-4-ylmethyl)amino]ethanol
CID 62014276
2-[(2-aminocyclopentyl)-benzylamino]ethanol
CID 62114262
4-[[cyclobutyl(2-hydroxyethyl)amino]methyl]phenol
CID 102809822
N,N-dibenzylcyclobutanamine
CID 70822586
3-[benzyl(cyclohexyl)amino]propanoic acid
CID 82327522
3-[[cyclobutyl(2-hydroxyethyl)amino]methyl]phenol
CID 102679360
4-[2-[benzyl(cyclohexyl)amino]acetyl]piperazin-2-one
CID 71891023
(5R)-5-[[benzyl(2-hydroxyethyl)amino]methyl]pyrrolidin-2-one
CID 66865389
2-[benzyl(2-hydroxyethyl)amino]cyclohexane-1-carbonitrile
CID 62115637
2-[(2-oxoazepan-4-yl)-prop-2-enylamino]acetic acid
CID 79276623

Frequently Asked Questions

What is the IUPAC name of 4-[benzyl(2-hydroxyethyl)amino]azepan-2-one?
The IUPAC name of 4-[benzyl(2-hydroxyethyl)amino]azepan-2-one (CID 63888503) is 4-[benzyl(2-hydroxyethyl)amino]azepan-2-one.
What is the SMILES notation for 4-[benzyl(2-hydroxyethyl)amino]azepan-2-one?
The canonical SMILES for 4-[benzyl(2-hydroxyethyl)amino]azepan-2-one is O=C1CC(N(CCO)Cc2ccccc2)CCCN1.
What is the InChIKey of 4-[benzyl(2-hydroxyethyl)amino]azepan-2-one?
The InChIKey is IIXOFZKTPNKUAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2/c18-10-9-17(12-13-5-2-1-3-6-13)14-7-4-8-16-15(19)11-14/h1-3,5-6,14,18H,4,7-12H2,(H,16,19).
What are the key properties of 4-[benzyl(2-hydroxyethyl)amino]azepan-2-one?
4-[benzyl(2-hydroxyethyl)amino]azepan-2-one has a molecular weight of 262.35 g/mol, XLogP of 1.15, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[benzyl(2-hydroxyethyl)amino]azepan-2-one is sourced from PubChem (CID 63888503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).