6-[1-[(2,3-dimethylcyclopentyl)amino]ethyl]-4H-1,4-benzoxazin-3-one

C17H24N2O2 — CID 64907786

IUPAC6-[1-[(2,3-dimethylcyclopentyl)amino]ethyl]-4H-1,4-benzoxazin-3-one
SMILESCC(NC1CCC(C)C1C)c1ccc2c(c1)NC(=O)CO2
InChIInChI=1S/C17H24N2O2/c1-10-4-6-14(11(10)2)18-12(3)13-5-7-16-15(8-13)19-17(20)9-21-16/h5,7-8,10-12,14,18H,4,6,9H2,1-3H3,(H,19,20)
InChIKeyWYJSWQZJICYIBY-UHFFFAOYSA-N
MW288.39 g/mol
LogP3.10
Rot. Bonds3

About 6-[1-[(2,3-dimethylcyclopentyl)amino]ethyl]-4H-1,4-benzoxazin-3-one

6-[1-[(2,3-dimethylcyclopentyl)amino]ethyl]-4H-1,4-benzoxazin-3-one (PubChem CID 64907786) has the molecular formula C17H24N2O2 and a molecular weight of 288.39 g/mol. Its IUPAC name is 6-[1-[(2,3-dimethylcyclopentyl)amino]ethyl]-4H-1,4-benzoxazin-3-one.

Molecular Properties

Compound Name6-[1-[(2,3-dimethylcyclopentyl)amino]ethyl]-4H-1,4-benzoxazin-3-one
PubChem CID64907786
Molecular FormulaC17H24N2O2
Molecular Weight288.39 g/mol
Exact Mass288.18
IUPAC Name6-[1-[(2,3-dimethylcyclopentyl)amino]ethyl]-4H-1,4-benzoxazin-3-one
SMILESCC(NC1CCC(C)C1C)c1ccc2c(c1)NC(=O)CO2
InChIInChI=1S/C17H24N2O2/c1-10-4-6-14(11(10)2)18-12(3)13-5-7-16-15(8-13)19-17(20)9-21-16/h5,7-8,10-12,14,18H,4,6,9H2,1-3H3,(H,19,20)
InChIKeyWYJSWQZJICYIBY-UHFFFAOYSA-N
XLogP3.10
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 53.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

6-[1-(cyclopentylamino)ethyl]-4H-1,4-benzoxazin-3-one
CID 43200721
6-[1-(oxan-4-ylamino)ethyl]-4H-1,4-benzoxazin-3-one
CID 43609607
6-[1-[(1,1-dioxothiolan-3-yl)amino]ethyl]-4H-1,4-benzoxazin-3-one
CID 43098081
6-[1-[(2-methyloxan-4-yl)amino]ethyl]-4H-1,4-benzoxazin-3-one
CID 103910296
6-[1-[(3,3-dimethylcyclopentyl)amino]ethyl]-4H-1,4-benzoxazin-3-one
CID 104530994
6-[1-[(3-methoxycyclobutyl)amino]ethyl]-4H-1,4-benzoxazin-3-one
CID 104871419
6-[1-(thiolan-3-ylmethylamino)ethyl]-4H-1,4-benzoxazin-3-one
CID 107165855
6-[1-(but-3-yn-2-ylamino)ethyl]-4H-1,4-benzoxazin-3-one
CID 114415203
6-[(1R)-1-hydroxyethyl]-4H-1,4-benzoxazin-3-one
CID 47003494
(4R)-4-methyl-N-[(1S)-1-(3-oxo-4H-1,4-benzoxazin-6-yl)ethyl]azepane-1-carboxamide
CID 95251768
2-[1-(3-oxo-4H-1,4-benzoxazin-6-yl)ethylamino]propanoic acid
CID 61499457
2-[1-(3-oxo-4H-1,4-benzoxazin-6-yl)ethylamino]acetic acid
CID 43135032

Frequently Asked Questions

What is the IUPAC name of 6-[1-[(2,3-dimethylcyclopentyl)amino]ethyl]-4H-1,4-benzoxazin-3-one?
The IUPAC name of 6-[1-[(2,3-dimethylcyclopentyl)amino]ethyl]-4H-1,4-benzoxazin-3-one (CID 64907786) is 6-[1-[(2,3-dimethylcyclopentyl)amino]ethyl]-4H-1,4-benzoxazin-3-one.
What is the SMILES notation for 6-[1-[(2,3-dimethylcyclopentyl)amino]ethyl]-4H-1,4-benzoxazin-3-one?
The canonical SMILES for 6-[1-[(2,3-dimethylcyclopentyl)amino]ethyl]-4H-1,4-benzoxazin-3-one is CC(NC1CCC(C)C1C)c1ccc2c(c1)NC(=O)CO2.
What is the InChIKey of 6-[1-[(2,3-dimethylcyclopentyl)amino]ethyl]-4H-1,4-benzoxazin-3-one?
The InChIKey is WYJSWQZJICYIBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O2/c1-10-4-6-14(11(10)2)18-12(3)13-5-7-16-15(8-13)19-17(20)9-21-16/h5,7-8,10-12,14,18H,4,6,9H2,1-3H3,(H,19,20).
What are the key properties of 6-[1-[(2,3-dimethylcyclopentyl)amino]ethyl]-4H-1,4-benzoxazin-3-one?
6-[1-[(2,3-dimethylcyclopentyl)amino]ethyl]-4H-1,4-benzoxazin-3-one has a molecular weight of 288.39 g/mol, XLogP of 3.10, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[1-[(2,3-dimethylcyclopentyl)amino]ethyl]-4H-1,4-benzoxazin-3-one is sourced from PubChem (CID 64907786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).