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

C19H23N2O2P — CID 134562428

IUPAC3-tert-butyl-4-methoxy-N-phenyl-2H-1,3-benzazaphosphole-1-carboxamide
SMILESCOc1cccc2c1P(C(C)(C)C)CN2C(=O)Nc1ccccc1
InChIInChI=1S/C19H23N2O2P/c1-19(2,3)24-13-21(15-11-8-12-16(23-4)17(15)24)18(22)20-14-9-6-5-7-10-14/h5-12H,13H2,1-4H3,(H,20,22)
InChIKeyNDXJEIOMEWLWBG-UHFFFAOYSA-N
MW342.38 g/mol
LogP4.61
Rot. Bonds2

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

3-tert-butyl-4-methoxy-N-phenyl-2H-1,3-benzazaphosphole-1-carboxamide (PubChem CID 134562428) has the molecular formula C19H23N2O2P and a molecular weight of 342.38 g/mol. Its IUPAC name is 3-tert-butyl-4-methoxy-N-phenyl-2H-1,3-benzazaphosphole-1-carboxamide.

Molecular Properties

Compound Name3-tert-butyl-4-methoxy-N-phenyl-2H-1,3-benzazaphosphole-1-carboxamide
PubChem CID134562428
Molecular FormulaC19H23N2O2P
Molecular Weight342.38 g/mol
Exact Mass342.15
IUPAC Name3-tert-butyl-4-methoxy-N-phenyl-2H-1,3-benzazaphosphole-1-carboxamide
SMILESCOc1cccc2c1P(C(C)(C)C)CN2C(=O)Nc1ccccc1
InChIInChI=1S/C19H23N2O2P/c1-19(2,3)24-13-21(15-11-8-12-16(23-4)17(15)24)18(22)20-14-9-6-5-7-10-14/h5-12H,13H2,1-4H3,(H,20,22)
InChIKeyNDXJEIOMEWLWBG-UHFFFAOYSA-N
XLogP4.61
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.38
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-tert-butyl-4-methoxy-3-oxo-N-phenyl-2H-1,3λ5-benzazaphosphole-1-carboxamide
CID 134575325
3-tert-butyl-4-(2,6-dimethoxyphenyl)-3-oxo-N-phenyl-2H-1,3λ5-benzazaphosphole-1-carboxamide
CID 134562421
N-(3-methoxyphenyl)-4H-pyrrolo[1,2-a]quinoxaline-5-carboxamide
CID 46295420
3-tert-butyl-4-(1-tert-butyl-2,3-dihydrophosphindol-7-yl)-1,2-dihydro-1,3-benzazaphosphole;3-tert-butyl-4-(3-tert-butyl-1-phenyl-2H-1,3-benzazaphosphol-4-yl)-1-phenyl-2H-1,3-benzazaphosphole;3-tert-butyl-4-(3-tert-butyl-1-propanoyl-2H-1,3-benzazaphosphol-4-yl)-N-phenyl-2H-1,3-benzazaphosphole-1-carboxamide;(1R)-1-tert-butyl-7-methoxy-2,3-dihydrophosphindole;(2S,3R)-3-tert-butyl-4-methoxy-1-phenyl-2-[[2,4,6-tri(propan-2-yl)phenyl]methyl]-2H-1,3-benzazaphosphole
CID 161421358
5-methoxy-N-phenyl-6-(trifluoromethyl)-2,3-dihydroindole-1-carboxamide
CID 10640590
N-(3-methoxyphenyl)-4-methyl-2,3-dihydroquinoxaline-1-carboxamide
CID 46382930
N-(3-methoxyphenyl)-2,3,4,5-tetrahydro-1-benzazepine-1-carboxamide
CID 46338657
2-hydroxy-N-(3-methoxyphenyl)-2,2-diphenylacetamide
CID 828005
N-(3-iodophenyl)-4-(2-methoxyphenyl)piperazine-1-carboxamide
CID 3347580
2-anilino-1-[4-(2-methoxyphenyl)piperazin-1-yl]ethanone;dihydrochloride
CID 119826557
7-methoxy-N-phenyl-2,3,4,5-tetrahydro-1-benzazepine-1-carboxamide
CID 23032395
4-(2-methoxyphenyl)-N-(4-phenylmethoxyphenyl)piperazine-1-carboxamide
CID 24825192

Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-4-methoxy-N-phenyl-2H-1,3-benzazaphosphole-1-carboxamide?
The IUPAC name of 3-tert-butyl-4-methoxy-N-phenyl-2H-1,3-benzazaphosphole-1-carboxamide (CID 134562428) is 3-tert-butyl-4-methoxy-N-phenyl-2H-1,3-benzazaphosphole-1-carboxamide.
What is the SMILES notation for 3-tert-butyl-4-methoxy-N-phenyl-2H-1,3-benzazaphosphole-1-carboxamide?
The canonical SMILES for 3-tert-butyl-4-methoxy-N-phenyl-2H-1,3-benzazaphosphole-1-carboxamide is COc1cccc2c1P(C(C)(C)C)CN2C(=O)Nc1ccccc1.
What is the InChIKey of 3-tert-butyl-4-methoxy-N-phenyl-2H-1,3-benzazaphosphole-1-carboxamide?
The InChIKey is NDXJEIOMEWLWBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N2O2P/c1-19(2,3)24-13-21(15-11-8-12-16(23-4)17(15)24)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-N-phenyl-2H-1,3-benzazaphosphole-1-carboxamide?
3-tert-butyl-4-methoxy-N-phenyl-2H-1,3-benzazaphosphole-1-carboxamide has a molecular weight of 342.38 g/mol, XLogP of 4.61, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-4-methoxy-N-phenyl-2H-1,3-benzazaphosphole-1-carboxamide is sourced from PubChem (CID 134562428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).