3-ethyl-1-naphthalen-2-yl-1,4-diazepan-2-one;hydrochloride

C17H21ClN2O — CID 118708372

IUPAC3-ethyl-1-naphthalen-2-yl-1,4-diazepan-2-one;hydrochloride
SMILESCCC1NCCCN(c2ccc3ccccc3c2)C1=O.Cl
InChIInChI=1S/C17H20N2O.ClH/c1-2-16-17(20)19(11-5-10-18-16)15-9-8-13-6-3-4-7-14(13)12-15;/h3-4,6-9,12,16,18H,2,5,10-11H2,1H3;1H
InChIKeyMASFTFKGBFXWJC-UHFFFAOYSA-N
MW304.82 g/mol
LogP3.37
Rot. Bonds2

About 3-ethyl-1-naphthalen-2-yl-1,4-diazepan-2-one;hydrochloride

3-ethyl-1-naphthalen-2-yl-1,4-diazepan-2-one;hydrochloride (PubChem CID 118708372) has the molecular formula C17H21ClN2O and a molecular weight of 304.82 g/mol. Its IUPAC name is 3-ethyl-1-naphthalen-2-yl-1,4-diazepan-2-one;hydrochloride.

Molecular Properties

Compound Name3-ethyl-1-naphthalen-2-yl-1,4-diazepan-2-one;hydrochloride
PubChem CID118708372
Molecular FormulaC17H21ClN2O
Molecular Weight304.82 g/mol
Exact Mass304.13
IUPAC Name3-ethyl-1-naphthalen-2-yl-1,4-diazepan-2-one;hydrochloride
SMILESCCC1NCCCN(c2ccc3ccccc3c2)C1=O.Cl
InChIInChI=1S/C17H20N2O.ClH/c1-2-16-17(20)19(11-5-10-18-16)15-9-8-13-6-3-4-7-14(13)12-15;/h3-4,6-9,12,16,18H,2,5,10-11H2,1H3;1H
InChIKeyMASFTFKGBFXWJC-UHFFFAOYSA-N
XLogP3.37
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.82
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-1-naphthalen-2-yl-1,4-diazepan-2-one;hydrochloride?
The IUPAC name of 3-ethyl-1-naphthalen-2-yl-1,4-diazepan-2-one;hydrochloride (CID 118708372) is 3-ethyl-1-naphthalen-2-yl-1,4-diazepan-2-one;hydrochloride.
What is the SMILES notation for 3-ethyl-1-naphthalen-2-yl-1,4-diazepan-2-one;hydrochloride?
The canonical SMILES for 3-ethyl-1-naphthalen-2-yl-1,4-diazepan-2-one;hydrochloride is CCC1NCCCN(c2ccc3ccccc3c2)C1=O.Cl.
What is the InChIKey of 3-ethyl-1-naphthalen-2-yl-1,4-diazepan-2-one;hydrochloride?
The InChIKey is MASFTFKGBFXWJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O.ClH/c1-2-16-17(20)19(11-5-10-18-16)15-9-8-13-6-3-4-7-14(13)12-15;/h3-4,6-9,12,16,18H,2,5,10-11H2,1H3;1H.
What are the key properties of 3-ethyl-1-naphthalen-2-yl-1,4-diazepan-2-one;hydrochloride?
3-ethyl-1-naphthalen-2-yl-1,4-diazepan-2-one;hydrochloride has a molecular weight of 304.82 g/mol, XLogP of 3.37, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-1-naphthalen-2-yl-1,4-diazepan-2-one;hydrochloride is sourced from PubChem (CID 118708372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).