1-amino-N-(2,4-dimethyl-3-oxo-1,4-benzoxazin-6-yl)cyclopentane-1-carboxamide

C16H21N3O3 — CID 131904163

IUPAC1-amino-N-(2,4-dimethyl-3-oxo-1,4-benzoxazin-6-yl)cyclopentane-1-carboxamide
SMILESCC1Oc2ccc(NC(=O)C3(N)CCCC3)cc2N(C)C1=O
InChIInChI=1S/C16H21N3O3/c1-10-14(20)19(2)12-9-11(5-6-13(12)22-10)18-15(21)16(17)7-3-4-8-16/h5-6,9-10H,3-4,7-8,17H2,1-2H3,(H,18,21)
InChIKeyRUGFRPZOOQXNKQ-UHFFFAOYSA-N
MW303.36 g/mol
LogP1.64
Rot. Bonds2

About 1-amino-N-(2,4-dimethyl-3-oxo-1,4-benzoxazin-6-yl)cyclopentane-1-carboxamide

1-amino-N-(2,4-dimethyl-3-oxo-1,4-benzoxazin-6-yl)cyclopentane-1-carboxamide (PubChem CID 131904163) has the molecular formula C16H21N3O3 and a molecular weight of 303.36 g/mol. Its IUPAC name is 1-amino-N-(2,4-dimethyl-3-oxo-1,4-benzoxazin-6-yl)cyclopentane-1-carboxamide.

Molecular Properties

Compound Name1-amino-N-(2,4-dimethyl-3-oxo-1,4-benzoxazin-6-yl)cyclopentane-1-carboxamide
PubChem CID131904163
Molecular FormulaC16H21N3O3
Molecular Weight303.36 g/mol
Exact Mass303.16
IUPAC Name1-amino-N-(2,4-dimethyl-3-oxo-1,4-benzoxazin-6-yl)cyclopentane-1-carboxamide
SMILESCC1Oc2ccc(NC(=O)C3(N)CCCC3)cc2N(C)C1=O
InChIInChI=1S/C16H21N3O3/c1-10-14(20)19(2)12-9-11(5-6-13(12)22-10)18-15(21)16(17)7-3-4-8-16/h5-6,9-10H,3-4,7-8,17H2,1-2H3,(H,18,21)
InChIKeyRUGFRPZOOQXNKQ-UHFFFAOYSA-N
XLogP1.64
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.36
LogP ≤ 51.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-N-(2,4-dimethyl-3-oxo-1,4-benzoxazin-6-yl)acetamide;hydrochloride
CID 154915922
2-(1,3-benzodioxol-5-yl)-N-(2,4-dimethyl-3-oxo-1,4-benzoxazin-6-yl)acetamide
CID 131895985
4-(dimethylamino)-N-(2,4-dimethyl-3-oxo-1,4-benzoxazin-6-yl)benzamide
CID 110793041
N-[(2R)-2,4-dimethyl-3-oxo-1,4-benzoxazin-6-yl]-3,5-dimethyl-1,2-oxazole-4-carboxamide
CID 52904676
1-[2-(azepan-1-yl)ethyl]-3-[(2S)-2,4-dimethyl-3-oxo-1,4-benzoxazin-6-yl]-1-methylurea
CID 126426703
N-(2,4-dimethyl-3-oxo-1,4-benzoxazin-6-yl)-5-phenyl-1,2-oxazole-3-carboxamide
CID 51065384
N-[2-[[(2R)-2,4-dimethyl-3-oxo-1,4-benzoxazin-6-yl]amino]-2-oxoethyl]benzamide
CID 42504871
2-(2-chlorophenyl)-N-(2,4-dimethyl-3-oxo-1,4-benzoxazin-6-yl)acetamide
CID 110778210
N-(2,4-dimethyl-3-oxo-1,4-benzoxazin-6-yl)-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide
CID 110793038
1-[(2S)-2,4-dimethyl-3-oxo-1,4-benzoxazin-6-yl]-3-(2-methylsulfonylethyl)urea
CID 126450495
N-(4-methoxyphenyl)-2,4-dimethyl-3-oxo-1,4-benzoxazine-6-carboxamide
CID 110683224
N-(3,4-difluorophenyl)-2,4-dimethyl-3-oxo-1,4-benzoxazine-6-carboxamide
CID 110683250

Frequently Asked Questions

What is the IUPAC name of 1-amino-N-(2,4-dimethyl-3-oxo-1,4-benzoxazin-6-yl)cyclopentane-1-carboxamide?
The IUPAC name of 1-amino-N-(2,4-dimethyl-3-oxo-1,4-benzoxazin-6-yl)cyclopentane-1-carboxamide (CID 131904163) is 1-amino-N-(2,4-dimethyl-3-oxo-1,4-benzoxazin-6-yl)cyclopentane-1-carboxamide.
What is the SMILES notation for 1-amino-N-(2,4-dimethyl-3-oxo-1,4-benzoxazin-6-yl)cyclopentane-1-carboxamide?
The canonical SMILES for 1-amino-N-(2,4-dimethyl-3-oxo-1,4-benzoxazin-6-yl)cyclopentane-1-carboxamide is CC1Oc2ccc(NC(=O)C3(N)CCCC3)cc2N(C)C1=O.
What is the InChIKey of 1-amino-N-(2,4-dimethyl-3-oxo-1,4-benzoxazin-6-yl)cyclopentane-1-carboxamide?
The InChIKey is RUGFRPZOOQXNKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O3/c1-10-14(20)19(2)12-9-11(5-6-13(12)22-10)18-15(21)16(17)7-3-4-8-16/h5-6,9-10H,3-4,7-8,17H2,1-2H3,(H,18,21).
What are the key properties of 1-amino-N-(2,4-dimethyl-3-oxo-1,4-benzoxazin-6-yl)cyclopentane-1-carboxamide?
1-amino-N-(2,4-dimethyl-3-oxo-1,4-benzoxazin-6-yl)cyclopentane-1-carboxamide has a molecular weight of 303.36 g/mol, XLogP of 1.64, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-N-(2,4-dimethyl-3-oxo-1,4-benzoxazin-6-yl)cyclopentane-1-carboxamide is sourced from PubChem (CID 131904163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).