N-[4-bis[formyl(methyl)amino]phosphanylphenyl]-N-methylformamide

C12H16N3O3P — CID 54356815

IUPACN-[4-bis[formyl(methyl)amino]phosphanylphenyl]-N-methylformamide
SMILESCN(C=O)c1ccc(P(N(C)C=O)N(C)C=O)cc1
InChIInChI=1S/C12H16N3O3P/c1-13(8-16)11-4-6-12(7-5-11)19(14(2)9-17)15(3)10-18/h4-10H,1-3H3
InChIKeyUJRALCZBRCBDKL-UHFFFAOYSA-N
MW281.25 g/mol
LogP0.39
Rot. Bonds7

About N-[4-bis[formyl(methyl)amino]phosphanylphenyl]-N-methylformamide

N-[4-bis[formyl(methyl)amino]phosphanylphenyl]-N-methylformamide (PubChem CID 54356815) has the molecular formula C12H16N3O3P and a molecular weight of 281.25 g/mol. Its IUPAC name is N-[4-bis[formyl(methyl)amino]phosphanylphenyl]-N-methylformamide.

Molecular Properties

Compound NameN-[4-bis[formyl(methyl)amino]phosphanylphenyl]-N-methylformamide
PubChem CID54356815
Molecular FormulaC12H16N3O3P
Molecular Weight281.25 g/mol
Exact Mass281.09
IUPAC NameN-[4-bis[formyl(methyl)amino]phosphanylphenyl]-N-methylformamide
SMILESCN(C=O)c1ccc(P(N(C)C=O)N(C)C=O)cc1
InChIInChI=1S/C12H16N3O3P/c1-13(8-16)11-4-6-12(7-5-11)19(14(2)9-17)15(3)10-18/h4-10H,1-3H3
InChIKeyUJRALCZBRCBDKL-UHFFFAOYSA-N
XLogP0.39
TPSA60.93 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.25
LogP ≤ 50.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

CID 69081
CID 69081
CID 7051
CID 7051
CID 66737
CID 66737
CID 10727
CID 10727
CID 11364
CID 11364
CID 11917
CID 11917
CID 13901
CID 13901
CID 19536
CID 19536
CID 77969
CID 77969
CID 79585
CID 79585
CID 78316
CID 78316
CID 17098
CID 17098

Frequently Asked Questions

What is the IUPAC name of N-[4-bis[formyl(methyl)amino]phosphanylphenyl]-N-methylformamide?
The IUPAC name of N-[4-bis[formyl(methyl)amino]phosphanylphenyl]-N-methylformamide (CID 54356815) is N-[4-bis[formyl(methyl)amino]phosphanylphenyl]-N-methylformamide.
What is the SMILES notation for N-[4-bis[formyl(methyl)amino]phosphanylphenyl]-N-methylformamide?
The canonical SMILES for N-[4-bis[formyl(methyl)amino]phosphanylphenyl]-N-methylformamide is CN(C=O)c1ccc(P(N(C)C=O)N(C)C=O)cc1.
What is the InChIKey of N-[4-bis[formyl(methyl)amino]phosphanylphenyl]-N-methylformamide?
The InChIKey is UJRALCZBRCBDKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N3O3P/c1-13(8-16)11-4-6-12(7-5-11)19(14(2)9-17)15(3)10-18/h4-10H,1-3H3.
What are the key properties of N-[4-bis[formyl(methyl)amino]phosphanylphenyl]-N-methylformamide?
N-[4-bis[formyl(methyl)amino]phosphanylphenyl]-N-methylformamide has a molecular weight of 281.25 g/mol, XLogP of 0.39, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-bis[formyl(methyl)amino]phosphanylphenyl]-N-methylformamide is sourced from PubChem (CID 54356815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).