3-tert-butyl-4-methoxy-3-oxo-N-phenyl-2H-1,3λ5-benzazaphosphole-1-carboxamide

C19H23N2O3P — CID 134575325

IUPAC3-tert-butyl-4-methoxy-3-oxo-N-phenyl-2H-1,3λ5-benzazaphosphole-1-carboxamide
SMILESCOc1cccc2c1P(=O)(C(C)(C)C)CN2C(=O)Nc1ccccc1
InChIInChI=1S/C19H23N2O3P/c1-19(2,3)25(23)13-21(15-11-8-12-16(24-4)17(15)25)18(22)20-14-9-6-5-7-10-14/h5-12H,13H2,1-4H3,(H,20,22)
InChIKeyLNLSBSVMCDVNKD-UHFFFAOYSA-N
MW358.38 g/mol
LogP4.49
Rot. Bonds2

About 3-tert-butyl-4-methoxy-3-oxo-N-phenyl-2H-1,3λ5-benzazaphosphole-1-carboxamide

3-tert-butyl-4-methoxy-3-oxo-N-phenyl-2H-1,3λ5-benzazaphosphole-1-carboxamide (PubChem CID 134575325) has the molecular formula C19H23N2O3P and a molecular weight of 358.38 g/mol. Its IUPAC name is 3-tert-butyl-4-methoxy-3-oxo-N-phenyl-2H-1,3λ5-benzazaphosphole-1-carboxamide.

Molecular Properties

Compound Name3-tert-butyl-4-methoxy-3-oxo-N-phenyl-2H-1,3λ5-benzazaphosphole-1-carboxamide
PubChem CID134575325
Molecular FormulaC19H23N2O3P
Molecular Weight358.38 g/mol
Exact Mass358.14
IUPAC Name3-tert-butyl-4-methoxy-3-oxo-N-phenyl-2H-1,3λ5-benzazaphosphole-1-carboxamide
SMILESCOc1cccc2c1P(=O)(C(C)(C)C)CN2C(=O)Nc1ccccc1
InChIInChI=1S/C19H23N2O3P/c1-19(2,3)25(23)13-21(15-11-8-12-16(24-4)17(15)25)18(22)20-14-9-6-5-7-10-14/h5-12H,13H2,1-4H3,(H,20,22)
InChIKeyLNLSBSVMCDVNKD-UHFFFAOYSA-N
XLogP4.49
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.38
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-tert-butyl-4-(2,6-dimethoxyphenyl)-3-oxo-N-phenyl-2H-1,3λ5-benzazaphosphole-1-carboxamide
CID 134562421
3-tert-butyl-4-methoxy-N-phenyl-2H-1,3-benzazaphosphole-1-carboxamide
CID 134562428
5-methoxy-N-phenyl-6-(trifluoromethyl)-2,3-dihydroindole-1-carboxamide
CID 10640590
3-tert-butyl-2-(3-tert-butyl-4-methoxy-3-oxo-1-phenyl-2H-1,3λ5-benzazaphosphol-2-yl)-4-methoxy-1-phenyl-2H-1,3λ5-benzazaphosphole 3-oxide
CID 134572645
N-(3-methoxyphenyl)-4-methyl-2,3-dihydroquinoxaline-1-carboxamide
CID 46382930
N-(3-methoxyphenyl)-4H-pyrrolo[1,2-a]quinoxaline-5-carboxamide
CID 46295420
N-(3-methoxyphenyl)-2,3,4,5-tetrahydro-1-benzazepine-1-carboxamide
CID 46338657
7-methoxy-N-phenyl-2,3,4,5-tetrahydro-1-benzazepine-1-carboxamide
CID 23032395
3,4-dihydro-2H-quinolin-1-yl-(2,6-dimethoxyphenyl)methanone
CID 5061013
2-hydroxy-N-(3-methoxyphenyl)-2,2-diphenylacetamide
CID 828005
N-(3-hydroxy-4-methoxyphenyl)-2,3,4,5-tetrahydro-1-benzazepine-1-carboxamide
CID 69224339
N-(3-iodophenyl)-4-(2-methoxyphenyl)piperazine-1-carboxamide
CID 3347580

Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-4-methoxy-3-oxo-N-phenyl-2H-1,3λ5-benzazaphosphole-1-carboxamide?
The IUPAC name of 3-tert-butyl-4-methoxy-3-oxo-N-phenyl-2H-1,3λ5-benzazaphosphole-1-carboxamide (CID 134575325) is 3-tert-butyl-4-methoxy-3-oxo-N-phenyl-2H-1,3λ5-benzazaphosphole-1-carboxamide.
What is the SMILES notation for 3-tert-butyl-4-methoxy-3-oxo-N-phenyl-2H-1,3λ5-benzazaphosphole-1-carboxamide?
The canonical SMILES for 3-tert-butyl-4-methoxy-3-oxo-N-phenyl-2H-1,3λ5-benzazaphosphole-1-carboxamide is COc1cccc2c1P(=O)(C(C)(C)C)CN2C(=O)Nc1ccccc1.
What is the InChIKey of 3-tert-butyl-4-methoxy-3-oxo-N-phenyl-2H-1,3λ5-benzazaphosphole-1-carboxamide?
The InChIKey is LNLSBSVMCDVNKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N2O3P/c1-19(2,3)25(23)13-21(15-11-8-12-16(24-4)17(15)25)18(22)20-14-9-6-5-7-10-14/h5-12H,13H2,1-4H3,(H,20,22).
What are the key properties of 3-tert-butyl-4-methoxy-3-oxo-N-phenyl-2H-1,3λ5-benzazaphosphole-1-carboxamide?
3-tert-butyl-4-methoxy-3-oxo-N-phenyl-2H-1,3λ5-benzazaphosphole-1-carboxamide has a molecular weight of 358.38 g/mol, XLogP of 4.49, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-4-methoxy-3-oxo-N-phenyl-2H-1,3λ5-benzazaphosphole-1-carboxamide is sourced from PubChem (CID 134575325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).