[fluoro(phosphanyl)phosphanyl] 2-[N-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]anilino]acetate

C30H30FNO5P2 — CID 58774080

IUPAC[fluoro(phosphanyl)phosphanyl] 2-[N-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]anilino]acetate
SMILESCOc1ccc(C(OCN(CC(=O)OP(F)P)c2ccccc2)(c2ccccc2)c2ccc(OC)cc2)cc1
InChIInChI=1S/C30H30FNO5P2/c1-34-27-17-13-24(14-18-27)30(23-9-5-3-6-10-23,25-15-19-28(35-2)20-16-25)36-22-32(21-29(33)37-39(31)38)26-11-7-4-8-12-26/h3-20H,21-22,38H2,1-2H3
InChIKeyUFXQWUVDGAWNSH-UHFFFAOYSA-N
MW565.52 g/mol
LogP7.09
Rot. Bonds12

About [fluoro(phosphanyl)phosphanyl] 2-[N-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]anilino]acetate

[fluoro(phosphanyl)phosphanyl] 2-[N-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]anilino]acetate (PubChem CID 58774080) has the molecular formula C30H30FNO5P2 and a molecular weight of 565.52 g/mol. Its IUPAC name is [fluoro(phosphanyl)phosphanyl] 2-[N-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]anilino]acetate.

Molecular Properties

Compound Name[fluoro(phosphanyl)phosphanyl] 2-[N-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]anilino]acetate
PubChem CID58774080
Molecular FormulaC30H30FNO5P2
Molecular Weight565.52 g/mol
Exact Mass565.16
IUPAC Name[fluoro(phosphanyl)phosphanyl] 2-[N-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]anilino]acetate
SMILESCOc1ccc(C(OCN(CC(=O)OP(F)P)c2ccccc2)(c2ccccc2)c2ccc(OC)cc2)cc1
InChIInChI=1S/C30H30FNO5P2/c1-34-27-17-13-24(14-18-27)30(23-9-5-3-6-10-23,25-15-19-28(35-2)20-16-25)36-22-32(21-29(33)37-39(31)38)26-11-7-4-8-12-26/h3-20H,21-22,38H2,1-2H3
InChIKeyUFXQWUVDGAWNSH-UHFFFAOYSA-N
XLogP7.09
TPSA57.23 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500565.52
LogP ≤ 57.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}, {'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

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Related Compounds

2-[N-[2-[bis(4-methoxyphenyl)-phenylmethoxy]ethyl]anilino]ethanol
CID 69286303
2-[2-[2-[bis(4-methoxyphenyl)-phenylmethoxy]ethoxy]ethoxy]ethanol
CID 57357526
2-amino-N-[4-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]phenyl]propanamide
CID 159349083
3-[bis(4-methoxyphenyl)-phenylmethoxy]-2-hydroxypropanamide
CID 91429970
2-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-3,4,5,6-tetrachlorobenzoic acid
CID 58679038
1-[[(4-methoxyphenyl)-diphenylmethoxy]methyl]-2-oxocyclopropane-1-carboxylic acid
CID 91050449
12-[bis(4-methoxyphenyl)-phenylmethoxy]dodecanamide
CID 141366713
methyl 2-(N-(2-methoxy-2-oxoethyl)anilino)acetate
CID 5323791
4-[2-[2-[2-[2-[2-[2-[bis(4-methoxyphenyl)-phenylmethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-4-oxobutanoic acid
CID 18974823
2-[N-(carboxymethyl)-4-methoxyanilino]acetic acid
CID 4712243
(2R,3R)-4-[bis(4-methoxyphenyl)-phenylmethoxy]butane-1,2,3-triol
CID 67864554
2-[N-(carboxymethyl)-3-methoxyanilino]acetic acid;2-[N-(carboxymethyl)-4-methoxyanilino]acetic acid
CID 122452807

Frequently Asked Questions

What is the IUPAC name of [fluoro(phosphanyl)phosphanyl] 2-[N-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]anilino]acetate?
The IUPAC name of [fluoro(phosphanyl)phosphanyl] 2-[N-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]anilino]acetate (CID 58774080) is [fluoro(phosphanyl)phosphanyl] 2-[N-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]anilino]acetate.
What is the SMILES notation for [fluoro(phosphanyl)phosphanyl] 2-[N-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]anilino]acetate?
The canonical SMILES for [fluoro(phosphanyl)phosphanyl] 2-[N-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]anilino]acetate is COc1ccc(C(OCN(CC(=O)OP(F)P)c2ccccc2)(c2ccccc2)c2ccc(OC)cc2)cc1.
What is the InChIKey of [fluoro(phosphanyl)phosphanyl] 2-[N-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]anilino]acetate?
The InChIKey is UFXQWUVDGAWNSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H30FNO5P2/c1-34-27-17-13-24(14-18-27)30(23-9-5-3-6-10-23,25-15-19-28(35-2)20-16-25)36-22-32(21-29(33)37-39(31)38)26-11-7-4-8-12-26/h3-20H,21-22,38H2,1-2H3.
What are the key properties of [fluoro(phosphanyl)phosphanyl] 2-[N-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]anilino]acetate?
[fluoro(phosphanyl)phosphanyl] 2-[N-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]anilino]acetate has a molecular weight of 565.52 g/mol, XLogP of 7.09, 12 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [fluoro(phosphanyl)phosphanyl] 2-[N-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]anilino]acetate is sourced from PubChem (CID 58774080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).