N-bis(2-ethylphenoxy)phosphoryl-4-propylaniline

C25H30NO3P — CID 70179153

IUPACN-bis(2-ethylphenoxy)phosphoryl-4-propylaniline
SMILESCCCc1ccc(NP(=O)(Oc2ccccc2CC)Oc2ccccc2CC)cc1
InChIInChI=1S/C25H30NO3P/c1-4-11-20-16-18-23(19-17-20)26-30(27,28-24-14-9-7-12-21(24)5-2)29-25-15-10-8-13-22(25)6-3/h7-10,12-19H,4-6,11H2,1-3H3,(H,26,27)
InChIKeyNMCKTZXHZVJKTQ-UHFFFAOYSA-N
MW423.49 g/mol
LogP7.44
Rot. Bonds10

About N-bis(2-ethylphenoxy)phosphoryl-4-propylaniline

N-bis(2-ethylphenoxy)phosphoryl-4-propylaniline (PubChem CID 70179153) has the molecular formula C25H30NO3P and a molecular weight of 423.49 g/mol. Its IUPAC name is N-bis(2-ethylphenoxy)phosphoryl-4-propylaniline.

Molecular Properties

Compound NameN-bis(2-ethylphenoxy)phosphoryl-4-propylaniline
PubChem CID70179153
Molecular FormulaC25H30NO3P
Molecular Weight423.49 g/mol
Exact Mass423.20
IUPAC NameN-bis(2-ethylphenoxy)phosphoryl-4-propylaniline
SMILESCCCc1ccc(NP(=O)(Oc2ccccc2CC)Oc2ccccc2CC)cc1
InChIInChI=1S/C25H30NO3P/c1-4-11-20-16-18-23(19-17-20)26-30(27,28-24-14-9-7-12-21(24)5-2)29-25-15-10-8-13-22(25)6-3/h7-10,12-19H,4-6,11H2,1-3H3,(H,26,27)
InChIKeyNMCKTZXHZVJKTQ-UHFFFAOYSA-N
XLogP7.44
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500423.49
LogP ≤ 57.44
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

N-[(2-methoxyphenyl)methyl]-4-propylaniline
CID 29045646
1-ethyl-2-[ethyl-(2-ethylphenoxy)phosphoryl]oxybenzene
CID 87155659
N-[(2-propan-2-yloxyphenyl)methyl]-4-propylaniline
CID 43769045
bis(2-ethylphenoxy)-methylidene-phenyl-λ5-phosphane
CID 87668436
dinaphthalen-1-yl (4-propylphenyl) phosphate
CID 139980306
1-bis(2-propylphenoxy)phosphorylpropan-2-one
CID 176899425
(2-nonylphenyl) bis(2-octylphenyl) phosphate
CID 71349653
2-phenyl-N-(4-propylphenyl)acetamide
CID 126501660
(4-ethylphenoxy)-(2-propylphenoxy)-sulfanyl-sulfanylidene-λ5-phosphane
CID 88667793
1-butan-2-yloxy-2-ethylbenzene
CID 64763289
bis(bis(2-butylphenyl) phosphate);nickel(2+)
CID 88827321
2-methyl-N-(4-propylphenyl)propanamide
CID 58658667

Frequently Asked Questions

What is the IUPAC name of N-bis(2-ethylphenoxy)phosphoryl-4-propylaniline?
The IUPAC name of N-bis(2-ethylphenoxy)phosphoryl-4-propylaniline (CID 70179153) is N-bis(2-ethylphenoxy)phosphoryl-4-propylaniline.
What is the SMILES notation for N-bis(2-ethylphenoxy)phosphoryl-4-propylaniline?
The canonical SMILES for N-bis(2-ethylphenoxy)phosphoryl-4-propylaniline is CCCc1ccc(NP(=O)(Oc2ccccc2CC)Oc2ccccc2CC)cc1.
What is the InChIKey of N-bis(2-ethylphenoxy)phosphoryl-4-propylaniline?
The InChIKey is NMCKTZXHZVJKTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30NO3P/c1-4-11-20-16-18-23(19-17-20)26-30(27,28-24-14-9-7-12-21(24)5-2)29-25-15-10-8-13-22(25)6-3/h7-10,12-19H,4-6,11H2,1-3H3,(H,26,27).
What are the key properties of N-bis(2-ethylphenoxy)phosphoryl-4-propylaniline?
N-bis(2-ethylphenoxy)phosphoryl-4-propylaniline has a molecular weight of 423.49 g/mol, XLogP of 7.44, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-bis(2-ethylphenoxy)phosphoryl-4-propylaniline is sourced from PubChem (CID 70179153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).