N-[4-(2,2-dimethylpropanoyl)-2,3-dihydro-1,4-benzoxazin-6-yl]pyrrolidine-2-carboxamide

C18H25N3O3 — CID 119299910

IUPACN-[4-(2,2-dimethylpropanoyl)-2,3-dihydro-1,4-benzoxazin-6-yl]pyrrolidine-2-carboxamide
SMILESCC(C)(C)C(=O)N1CCOc2ccc(NC(=O)C3CCCN3)cc21
InChIInChI=1S/C18H25N3O3/c1-18(2,3)17(23)21-9-10-24-15-7-6-12(11-14(15)21)20-16(22)13-5-4-8-19-13/h6-7,11,13,19H,4-5,8-10H2,1-3H3,(H,20,22)
InChIKeyBGDYIPIWXMGMQA-UHFFFAOYSA-N
MW331.42 g/mol
LogP2.15
Rot. Bonds2

About N-[4-(2,2-dimethylpropanoyl)-2,3-dihydro-1,4-benzoxazin-6-yl]pyrrolidine-2-carboxamide

N-[4-(2,2-dimethylpropanoyl)-2,3-dihydro-1,4-benzoxazin-6-yl]pyrrolidine-2-carboxamide (PubChem CID 119299910) has the molecular formula C18H25N3O3 and a molecular weight of 331.42 g/mol. Its IUPAC name is N-[4-(2,2-dimethylpropanoyl)-2,3-dihydro-1,4-benzoxazin-6-yl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-[4-(2,2-dimethylpropanoyl)-2,3-dihydro-1,4-benzoxazin-6-yl]pyrrolidine-2-carboxamide
PubChem CID119299910
Molecular FormulaC18H25N3O3
Molecular Weight331.42 g/mol
Exact Mass331.19
IUPAC NameN-[4-(2,2-dimethylpropanoyl)-2,3-dihydro-1,4-benzoxazin-6-yl]pyrrolidine-2-carboxamide
SMILESCC(C)(C)C(=O)N1CCOc2ccc(NC(=O)C3CCCN3)cc21
InChIInChI=1S/C18H25N3O3/c1-18(2,3)17(23)21-9-10-24-15-7-6-12(11-14(15)21)20-16(22)13-5-4-8-19-13/h6-7,11,13,19H,4-5,8-10H2,1-3H3,(H,20,22)
InChIKeyBGDYIPIWXMGMQA-UHFFFAOYSA-N
XLogP2.15
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.42
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[4-(2,2-dimethylpropanoyl)-2,3-dihydro-1,4-benzoxazin-6-yl]pyrrolidine-2-carboxamide with MolForge

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Related Compounds

(2R)-N-(4-methyl-2,3-dihydro-1,4-benzoxazin-6-yl)piperidine-2-carboxamide
CID 119889210
N-(2,3-dihydro-1,4-benzodioxin-6-yl)piperidine-2-carboxamide
CID 24708049
(2R)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)piperidine-2-carboxamide;hydrochloride
CID 119669203
(2S)-N-(1,3-benzodioxol-5-yl)pyrrolidine-2-carboxamide
CID 22691464
N-[4-(2,2-dimethylpropanoyl)-2,3-dihydro-1,4-benzoxazin-6-yl]-1,3-dihydro-2-benzofuran-5-carboxamide
CID 49162446
N-(3,4-difluorophenyl)-2-[[4-(2,2-dimethylpropanoyl)-2,3-dihydro-1,4-benzoxazin-6-yl]amino]acetamide
CID 55918861
(2S)-N-(1,3-benzodioxol-5-yl)piperidine-2-carboxamide;hydrochloride
CID 119668954
(2S)-N-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)pyrrolidine-2-carboxamide
CID 22689965
N-(4-morpholin-4-ylphenyl)pyrrolidine-2-carboxamide
CID 60710547
(2S)-N-(4-acetamidophenyl)pyrrolidine-2-carboxamide
CID 22691413
(2S)-N-(2,2-dimethyl-3H-1-benzofuran-5-yl)pyrrolidine-2-carboxamide
CID 110837751
N-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]pyrrolidine-2-carboxamide
CID 60711549

Frequently Asked Questions

What is the IUPAC name of N-[4-(2,2-dimethylpropanoyl)-2,3-dihydro-1,4-benzoxazin-6-yl]pyrrolidine-2-carboxamide?
The IUPAC name of N-[4-(2,2-dimethylpropanoyl)-2,3-dihydro-1,4-benzoxazin-6-yl]pyrrolidine-2-carboxamide (CID 119299910) is N-[4-(2,2-dimethylpropanoyl)-2,3-dihydro-1,4-benzoxazin-6-yl]pyrrolidine-2-carboxamide.
What is the SMILES notation for N-[4-(2,2-dimethylpropanoyl)-2,3-dihydro-1,4-benzoxazin-6-yl]pyrrolidine-2-carboxamide?
The canonical SMILES for N-[4-(2,2-dimethylpropanoyl)-2,3-dihydro-1,4-benzoxazin-6-yl]pyrrolidine-2-carboxamide is CC(C)(C)C(=O)N1CCOc2ccc(NC(=O)C3CCCN3)cc21.
What is the InChIKey of N-[4-(2,2-dimethylpropanoyl)-2,3-dihydro-1,4-benzoxazin-6-yl]pyrrolidine-2-carboxamide?
The InChIKey is BGDYIPIWXMGMQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O3/c1-18(2,3)17(23)21-9-10-24-15-7-6-12(11-14(15)21)20-16(22)13-5-4-8-19-13/h6-7,11,13,19H,4-5,8-10H2,1-3H3,(H,20,22).
What are the key properties of N-[4-(2,2-dimethylpropanoyl)-2,3-dihydro-1,4-benzoxazin-6-yl]pyrrolidine-2-carboxamide?
N-[4-(2,2-dimethylpropanoyl)-2,3-dihydro-1,4-benzoxazin-6-yl]pyrrolidine-2-carboxamide has a molecular weight of 331.42 g/mol, XLogP of 2.15, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2,2-dimethylpropanoyl)-2,3-dihydro-1,4-benzoxazin-6-yl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 119299910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).