2-(7-amino-2,2-dimethyl-3-oxo-1,4-benzoxazin-4-yl)-N-cyclopentylacetamide

C17H23N3O3 — CID 28815931

IUPAC2-(7-amino-2,2-dimethyl-3-oxo-1,4-benzoxazin-4-yl)-N-cyclopentylacetamide
SMILESCC1(C)Oc2cc(N)ccc2N(CC(=O)NC2CCCC2)C1=O
InChIInChI=1S/C17H23N3O3/c1-17(2)16(22)20(10-15(21)19-12-5-3-4-6-12)13-8-7-11(18)9-14(13)23-17/h7-9,12H,3-6,10,18H2,1-2H3,(H,19,21)
InChIKeyJZCMMNUQWMVAER-UHFFFAOYSA-N
MW317.39 g/mol
LogP1.83
Rot. Bonds3

About 2-(7-amino-2,2-dimethyl-3-oxo-1,4-benzoxazin-4-yl)-N-cyclopentylacetamide

2-(7-amino-2,2-dimethyl-3-oxo-1,4-benzoxazin-4-yl)-N-cyclopentylacetamide (PubChem CID 28815931) has the molecular formula C17H23N3O3 and a molecular weight of 317.39 g/mol. Its IUPAC name is 2-(7-amino-2,2-dimethyl-3-oxo-1,4-benzoxazin-4-yl)-N-cyclopentylacetamide.

Molecular Properties

Compound Name2-(7-amino-2,2-dimethyl-3-oxo-1,4-benzoxazin-4-yl)-N-cyclopentylacetamide
PubChem CID28815931
Molecular FormulaC17H23N3O3
Molecular Weight317.39 g/mol
Exact Mass317.17
IUPAC Name2-(7-amino-2,2-dimethyl-3-oxo-1,4-benzoxazin-4-yl)-N-cyclopentylacetamide
SMILESCC1(C)Oc2cc(N)ccc2N(CC(=O)NC2CCCC2)C1=O
InChIInChI=1S/C17H23N3O3/c1-17(2)16(22)20(10-15(21)19-12-5-3-4-6-12)13-8-7-11(18)9-14(13)23-17/h7-9,12H,3-6,10,18H2,1-2H3,(H,19,21)
InChIKeyJZCMMNUQWMVAER-UHFFFAOYSA-N
XLogP1.83
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.39
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-(7-amino-2,2-dimethyl-3-oxo-1,4-benzoxazin-4-yl)-N,N-diethylacetamide
CID 28815943
7-amino-2,2-dimethyl-4-(2-methylprop-2-enyl)-1,4-benzoxazin-3-one
CID 28815914
7-amino-2,2-dimethyl-4-(2-morpholin-4-yl-2-oxoethyl)-1,4-benzoxazin-3-one
CID 28815945
2-[(2E)-7-amino-3-oxo-2-(pyridin-2-ylmethylidene)-1,4-benzoxazin-4-yl]-N-cyclopentylacetamide
CID 28862526
N-cyclopentyl-2,2-dimethyl-4-[2-(4-methylanilino)-2-oxoethyl]-3-oxo-1,4-benzoxazine-6-carboxamide
CID 1442238
7-amino-4-[(4-chlorophenyl)methyl]-2,2-dimethyl-1,4-benzoxazin-3-one
CID 28815928
N-cyclopentyl-4-[2-(2-methoxyanilino)-2-oxoethyl]-2,2-dimethyl-3-oxo-1,4-benzoxazine-6-carboxamide
CID 1442254
N-cyclopentyl-4-[2-[(2R,6S)-2,6-dimethylpiperidin-1-yl]-2-oxoethyl]-2,2-dimethyl-3-oxo-1,4-benzoxazine-6-carboxamide
CID 1442235
benzyl 2-[6-(cyclohexylcarbamoyl)-2,2-dimethyl-3-oxo-1,4-benzoxazin-4-yl]acetate
CID 3222917
N-cyclopentyl-2-(7-hydroxy-3-oxo-1,4-benzoxazin-4-yl)acetamide
CID 82063564
7-amino-2,2-dimethyl-4-(2-phenoxyethyl)-1,4-benzoxazin-3-one
CID 28815965
2-(7-hydroxy-2,2-dimethyl-3-oxo-1,4-benzoxazin-4-yl)acetic acid
CID 82063704

Frequently Asked Questions

What is the IUPAC name of 2-(7-amino-2,2-dimethyl-3-oxo-1,4-benzoxazin-4-yl)-N-cyclopentylacetamide?
The IUPAC name of 2-(7-amino-2,2-dimethyl-3-oxo-1,4-benzoxazin-4-yl)-N-cyclopentylacetamide (CID 28815931) is 2-(7-amino-2,2-dimethyl-3-oxo-1,4-benzoxazin-4-yl)-N-cyclopentylacetamide.
What is the SMILES notation for 2-(7-amino-2,2-dimethyl-3-oxo-1,4-benzoxazin-4-yl)-N-cyclopentylacetamide?
The canonical SMILES for 2-(7-amino-2,2-dimethyl-3-oxo-1,4-benzoxazin-4-yl)-N-cyclopentylacetamide is CC1(C)Oc2cc(N)ccc2N(CC(=O)NC2CCCC2)C1=O.
What is the InChIKey of 2-(7-amino-2,2-dimethyl-3-oxo-1,4-benzoxazin-4-yl)-N-cyclopentylacetamide?
The InChIKey is JZCMMNUQWMVAER-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O3/c1-17(2)16(22)20(10-15(21)19-12-5-3-4-6-12)13-8-7-11(18)9-14(13)23-17/h7-9,12H,3-6,10,18H2,1-2H3,(H,19,21).
What are the key properties of 2-(7-amino-2,2-dimethyl-3-oxo-1,4-benzoxazin-4-yl)-N-cyclopentylacetamide?
2-(7-amino-2,2-dimethyl-3-oxo-1,4-benzoxazin-4-yl)-N-cyclopentylacetamide has a molecular weight of 317.39 g/mol, XLogP of 1.83, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(7-amino-2,2-dimethyl-3-oxo-1,4-benzoxazin-4-yl)-N-cyclopentylacetamide is sourced from PubChem (CID 28815931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).