N-(4-methoxyphenyl)-1-[(4-methoxyphenyl)carbamoyl-methylphosphanyl]formamide

C17H19N2O4P — CID 138969517

IUPACN-(4-methoxyphenyl)-1-[(4-methoxyphenyl)carbamoyl-methylphosphanyl]formamide
SMILESCOc1ccc(NC(=O)P(C)C(=O)Nc2ccc(OC)cc2)cc1
InChIInChI=1S/C17H19N2O4P/c1-22-14-8-4-12(5-9-14)18-16(20)24(3)17(21)19-13-6-10-15(23-2)11-7-13/h4-11H,1-3H3,(H,18,20)(H,19,21)
InChIKeyVYJIEMKPXPILAY-UHFFFAOYSA-N
MW346.32 g/mol
LogP4.58
Rot. Bonds6

About N-(4-methoxyphenyl)-1-[(4-methoxyphenyl)carbamoyl-methylphosphanyl]formamide

N-(4-methoxyphenyl)-1-[(4-methoxyphenyl)carbamoyl-methylphosphanyl]formamide (PubChem CID 138969517) has the molecular formula C17H19N2O4P and a molecular weight of 346.32 g/mol. Its IUPAC name is N-(4-methoxyphenyl)-1-[(4-methoxyphenyl)carbamoyl-methylphosphanyl]formamide.

Molecular Properties

Compound NameN-(4-methoxyphenyl)-1-[(4-methoxyphenyl)carbamoyl-methylphosphanyl]formamide
PubChem CID138969517
Molecular FormulaC17H19N2O4P
Molecular Weight346.32 g/mol
Exact Mass346.11
IUPAC NameN-(4-methoxyphenyl)-1-[(4-methoxyphenyl)carbamoyl-methylphosphanyl]formamide
SMILESCOc1ccc(NC(=O)P(C)C(=O)Nc2ccc(OC)cc2)cc1
InChIInChI=1S/C17H19N2O4P/c1-22-14-8-4-12(5-9-14)18-16(20)24(3)17(21)19-13-6-10-15(23-2)11-7-13/h4-11H,1-3H3,(H,18,20)(H,19,21)
InChIKeyVYJIEMKPXPILAY-UHFFFAOYSA-N
XLogP4.58
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.32
LogP ≤ 54.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1,3-bis(4-methoxyphenyl)urea
CID 139045428
(4-methoxyphenyl)carbamothioic S-acid
CID 12725828
2-(4-methoxyanilino)-2-oxoacetic acid
CID 4962374
N'-(4-fluorophenyl)-N-(4-methoxyphenyl)oxamide
CID 44995864
copper bis(2-(4-methoxyanilino)-2-oxoacetate)
CID 52913680
N-(4-methoxyphenyl)acetamide;sulfuryl dichloride
CID 88785543
N-(4-methoxyphenyl)-2-oxopropanethioamide
CID 15191748
N-(4-methoxyphenyl)-2,2,3,3-tetramethylcyclopropane-1-carboxamide
CID 816577
2,3,5,6-tetrafluoro-1-N,4-N-bis(4-methoxyphenyl)benzene-1,4-dicarboxamide
CID 1014494
2-chloro-N-(4-methoxyphenyl)prop-2-enamide
CID 29979
N,N'-bis[4-(4-methoxy-N-(4-methoxyphenyl)anilino)phenyl]oxamide
CID 134218618
1-tert-butyl-3-(4-methoxyphenyl)urea
CID 6457975

Frequently Asked Questions

What is the IUPAC name of N-(4-methoxyphenyl)-1-[(4-methoxyphenyl)carbamoyl-methylphosphanyl]formamide?
The IUPAC name of N-(4-methoxyphenyl)-1-[(4-methoxyphenyl)carbamoyl-methylphosphanyl]formamide (CID 138969517) is N-(4-methoxyphenyl)-1-[(4-methoxyphenyl)carbamoyl-methylphosphanyl]formamide.
What is the SMILES notation for N-(4-methoxyphenyl)-1-[(4-methoxyphenyl)carbamoyl-methylphosphanyl]formamide?
The canonical SMILES for N-(4-methoxyphenyl)-1-[(4-methoxyphenyl)carbamoyl-methylphosphanyl]formamide is COc1ccc(NC(=O)P(C)C(=O)Nc2ccc(OC)cc2)cc1.
What is the InChIKey of N-(4-methoxyphenyl)-1-[(4-methoxyphenyl)carbamoyl-methylphosphanyl]formamide?
The InChIKey is VYJIEMKPXPILAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N2O4P/c1-22-14-8-4-12(5-9-14)18-16(20)24(3)17(21)19-13-6-10-15(23-2)11-7-13/h4-11H,1-3H3,(H,18,20)(H,19,21).
What are the key properties of N-(4-methoxyphenyl)-1-[(4-methoxyphenyl)carbamoyl-methylphosphanyl]formamide?
N-(4-methoxyphenyl)-1-[(4-methoxyphenyl)carbamoyl-methylphosphanyl]formamide has a molecular weight of 346.32 g/mol, XLogP of 4.58, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxyphenyl)-1-[(4-methoxyphenyl)carbamoyl-methylphosphanyl]formamide is sourced from PubChem (CID 138969517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).