N-[[but-3-enyl(methyl)amino]-phenoxyphosphoryl]-N-methylbut-3-en-1-amine

C16H25N2O2P — CID 170237321

IUPACN-[[but-3-enyl(methyl)amino]-phenoxyphosphoryl]-N-methylbut-3-en-1-amine
SMILESC=CCCN(C)P(=O)(Oc1ccccc1)N(C)CCC=C
InChIInChI=1S/C16H25N2O2P/c1-5-7-14-17(3)21(19,18(4)15-8-6-2)20-16-12-10-9-11-13-16/h5-6,9-13H,1-2,7-8,14-15H2,3-4H3
InChIKeyZSCNGJSNXQMJPI-UHFFFAOYSA-N
MW308.36 g/mol
LogP4.19
Rot. Bonds10

About N-[[but-3-enyl(methyl)amino]-phenoxyphosphoryl]-N-methylbut-3-en-1-amine

N-[[but-3-enyl(methyl)amino]-phenoxyphosphoryl]-N-methylbut-3-en-1-amine (PubChem CID 170237321) has the molecular formula C16H25N2O2P and a molecular weight of 308.36 g/mol. Its IUPAC name is N-[[but-3-enyl(methyl)amino]-phenoxyphosphoryl]-N-methylbut-3-en-1-amine.

Molecular Properties

Compound NameN-[[but-3-enyl(methyl)amino]-phenoxyphosphoryl]-N-methylbut-3-en-1-amine
PubChem CID170237321
Molecular FormulaC16H25N2O2P
Molecular Weight308.36 g/mol
Exact Mass308.17
IUPAC NameN-[[but-3-enyl(methyl)amino]-phenoxyphosphoryl]-N-methylbut-3-en-1-amine
SMILESC=CCCN(C)P(=O)(Oc1ccccc1)N(C)CCC=C
InChIInChI=1S/C16H25N2O2P/c1-5-7-14-17(3)21(19,18(4)15-8-6-2)20-16-12-10-9-11-13-16/h5-6,9-13H,1-2,7-8,14-15H2,3-4H3
InChIKeyZSCNGJSNXQMJPI-UHFFFAOYSA-N
XLogP4.19
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.36
LogP ≤ 54.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

Diamidafos
CID 15643
Phenyl phosphorodiamidate
CID 81954
Phenyl N,N,N',N'-tetramethylphosphorodiamidate
CID 329912
Diphenyl diethylphosphoramidate
CID 1919849
Preparation F-11
CID 100586
Phosphinic acid, dipiperidino-, phenyl ester
CID 99250
N-[diethylamino-(3-methylphenoxy)phosphoryl]-N-ethylethanamine
CID 785435
Dipentyl phenyl phosphate
CID 16062459
Choline, bromide, diphenyl phosphate
CID 3066187
Phenyl di-n-pentylphosphinate
CID 151930
N-[dimethylamino-(4-methylphenoxy)phosphoryl]-N-ethylethanamine
CID 57340814
2-Methyl-1-[(2-methylaziridin-1-yl)-phenoxyphosphoryl]aziridine
CID 238910

Frequently Asked Questions

What is the IUPAC name of N-[[but-3-enyl(methyl)amino]-phenoxyphosphoryl]-N-methylbut-3-en-1-amine?
The IUPAC name of N-[[but-3-enyl(methyl)amino]-phenoxyphosphoryl]-N-methylbut-3-en-1-amine (CID 170237321) is N-[[but-3-enyl(methyl)amino]-phenoxyphosphoryl]-N-methylbut-3-en-1-amine.
What is the SMILES notation for N-[[but-3-enyl(methyl)amino]-phenoxyphosphoryl]-N-methylbut-3-en-1-amine?
The canonical SMILES for N-[[but-3-enyl(methyl)amino]-phenoxyphosphoryl]-N-methylbut-3-en-1-amine is C=CCCN(C)P(=O)(Oc1ccccc1)N(C)CCC=C.
What is the InChIKey of N-[[but-3-enyl(methyl)amino]-phenoxyphosphoryl]-N-methylbut-3-en-1-amine?
The InChIKey is ZSCNGJSNXQMJPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N2O2P/c1-5-7-14-17(3)21(19,18(4)15-8-6-2)20-16-12-10-9-11-13-16/h5-6,9-13H,1-2,7-8,14-15H2,3-4H3.
What are the key properties of N-[[but-3-enyl(methyl)amino]-phenoxyphosphoryl]-N-methylbut-3-en-1-amine?
N-[[but-3-enyl(methyl)amino]-phenoxyphosphoryl]-N-methylbut-3-en-1-amine has a molecular weight of 308.36 g/mol, XLogP of 4.19, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[but-3-enyl(methyl)amino]-phenoxyphosphoryl]-N-methylbut-3-en-1-amine is sourced from PubChem (CID 170237321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).