N-[2-[2-[2-[2-[2-[2-[bis(4-methoxyphenyl)-phenylmethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy-(3-methyliminopropoxy)phosphanyl]-N-propan-2-ylpropan-2-amine

C43H65N2O10P — CID 167244409

IUPACN-[2-[2-[2-[2-[2-[2-[bis(4-methoxyphenyl)-phenylmethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy-(3-methyliminopropoxy)phosphanyl]-N-propan-2-ylpropan-2-amine
SMILESC/N=C/CCOP(OCCOCCOCCOCCOCCOCCOC(c1ccccc1)(c1ccc(OC)cc1)c1ccc(OC)cc1)N(C(C)C)C(C)C
InChIInChI=1S/C43H65N2O10P/c1-36(2)45(37(3)4)56(54-23-11-22-44-5)55-35-33-52-31-29-50-27-25-48-24-26-49-28-30-51-32-34-53-43(38-12-9-8-10-13-38,39-14-18-41(46-6)19-15-39)40-16-20-42(47-7)21-17-40/h8-10,12-22,36-37H,11,23-35H2,1-7H3/b44-22+
InChIKeyVSPNIQPLUNXPOO-QWJCYBNYSA-N
MW800.97 g/mol
LogP7.56
Rot. Bonds32

About N-[2-[2-[2-[2-[2-[2-[bis(4-methoxyphenyl)-phenylmethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy-(3-methyliminopropoxy)phosphanyl]-N-propan-2-ylpropan-2-amine

N-[2-[2-[2-[2-[2-[2-[bis(4-methoxyphenyl)-phenylmethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy-(3-methyliminopropoxy)phosphanyl]-N-propan-2-ylpropan-2-amine (PubChem CID 167244409) has the molecular formula C43H65N2O10P and a molecular weight of 800.97 g/mol. Its IUPAC name is N-[2-[2-[2-[2-[2-[2-[bis(4-methoxyphenyl)-phenylmethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy-(3-methyliminopropoxy)phosphanyl]-N-propan-2-ylpropan-2-amine.

Molecular Properties

Compound NameN-[2-[2-[2-[2-[2-[2-[bis(4-methoxyphenyl)-phenylmethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy-(3-methyliminopropoxy)phosphanyl]-N-propan-2-ylpropan-2-amine
PubChem CID167244409
Molecular FormulaC43H65N2O10P
Molecular Weight800.97 g/mol
Exact Mass800.44
IUPAC NameN-[2-[2-[2-[2-[2-[2-[bis(4-methoxyphenyl)-phenylmethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy-(3-methyliminopropoxy)phosphanyl]-N-propan-2-ylpropan-2-amine
SMILESC/N=C/CCOP(OCCOCCOCCOCCOCCOCCOC(c1ccccc1)(c1ccc(OC)cc1)c1ccc(OC)cc1)N(C(C)C)C(C)C
InChIInChI=1S/C43H65N2O10P/c1-36(2)45(37(3)4)56(54-23-11-22-44-5)55-35-33-52-31-29-50-27-25-48-24-26-49-28-30-51-32-34-53-43(38-12-9-8-10-13-38,39-14-18-41(46-6)19-15-39)40-16-20-42(47-7)21-17-40/h8-10,12-22,36-37H,11,23-35H2,1-7H3/b44-22+
InChIKeyVSPNIQPLUNXPOO-QWJCYBNYSA-N
XLogP7.56
TPSA107.90 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds32
Heavy Atoms56
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500800.97
LogP ≤ 57.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}, {'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

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Related Compounds

3-[3-[bis(4-methoxyphenyl)-phenylmethoxy]propoxy-[di(propan-2-yl)amino]phosphanyl]oxypropanenitrile
CID 10303642
2-[2-[2-[bis(4-methoxyphenyl)-phenylmethoxy]ethoxy]ethoxy]ethanol
CID 57357526
3-[[di(propan-2-yl)amino]-[2-[2-[(4-methoxyphenyl)-diphenylmethoxy]ethyldisulfanyl]ethoxy]phosphanyl]oxypropanenitrile
CID 166138054
N-[[3-[bis(4-methoxyphenyl)-phenylmethoxy]-2-prop-2-ynoxypropoxy]-but-3-enoxyphosphanyl]-N-propan-2-ylpropan-2-amine
CID 166895211
3-[[(2R)-4-[bis(4-methoxyphenyl)-phenylmethoxy]butan-2-yl]oxy-[di(propan-2-yl)amino]phosphanyl]oxypropanenitrile
CID 58798161
2-[2-[2-[2-[2-[2-[bis(4-methoxyphenyl)-phenylmethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanamine
CID 54065876
(2S)-4-[bis(4-methoxyphenyl)-phenylmethoxy]butan-2-ol
CID 58798149
4-[bis(4-methoxyphenyl)-phenylmethoxy]butan-2-ol
CID 22022612
3-[[10-[bis(4-methoxyphenyl)-phenylmethoxy]-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]decoxy]-[di(propan-2-yl)amino]phosphanyl]oxypropanenitrile
CID 170904788
3-[[(2R)-2-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]oxolan-3-yl]oxy-[di(propan-2-yl)amino]phosphanyl]oxypropanenitrile
CID 170213639
3-[[2-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]oxolan-3-yl]oxy-[di(propan-2-yl)amino]phosphanyl]oxypropanenitrile
CID 85448574
1-methoxy-4-[(4-methoxyphenyl)-phenyl-[3-[3-(4-phenylmethoxybutoxy)propoxy]propoxy]methyl]benzene
CID 175834590

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-[2-[2-[2-[2-[bis(4-methoxyphenyl)-phenylmethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy-(3-methyliminopropoxy)phosphanyl]-N-propan-2-ylpropan-2-amine?
The IUPAC name of N-[2-[2-[2-[2-[2-[2-[bis(4-methoxyphenyl)-phenylmethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy-(3-methyliminopropoxy)phosphanyl]-N-propan-2-ylpropan-2-amine (CID 167244409) is N-[2-[2-[2-[2-[2-[2-[bis(4-methoxyphenyl)-phenylmethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy-(3-methyliminopropoxy)phosphanyl]-N-propan-2-ylpropan-2-amine.
What is the SMILES notation for N-[2-[2-[2-[2-[2-[2-[bis(4-methoxyphenyl)-phenylmethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy-(3-methyliminopropoxy)phosphanyl]-N-propan-2-ylpropan-2-amine?
The canonical SMILES for N-[2-[2-[2-[2-[2-[2-[bis(4-methoxyphenyl)-phenylmethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy-(3-methyliminopropoxy)phosphanyl]-N-propan-2-ylpropan-2-amine is C/N=C/CCOP(OCCOCCOCCOCCOCCOCCOC(c1ccccc1)(c1ccc(OC)cc1)c1ccc(OC)cc1)N(C(C)C)C(C)C.
What is the InChIKey of N-[2-[2-[2-[2-[2-[2-[bis(4-methoxyphenyl)-phenylmethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy-(3-methyliminopropoxy)phosphanyl]-N-propan-2-ylpropan-2-amine?
The InChIKey is VSPNIQPLUNXPOO-QWJCYBNYSA-N. The full InChI is InChI=1S/C43H65N2O10P/c1-36(2)45(37(3)4)56(54-23-11-22-44-5)55-35-33-52-31-29-50-27-25-48-24-26-49-28-30-51-32-34-53-43(38-12-9-8-10-13-38,39-14-18-41(46-6)19-15-39)40-16-20-42(47-7)21-17-40/h8-10,12-22,36-37H,11,23-35H2,1-7H3/b44-22+.
What are the key properties of N-[2-[2-[2-[2-[2-[2-[bis(4-methoxyphenyl)-phenylmethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy-(3-methyliminopropoxy)phosphanyl]-N-propan-2-ylpropan-2-amine?
N-[2-[2-[2-[2-[2-[2-[bis(4-methoxyphenyl)-phenylmethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy-(3-methyliminopropoxy)phosphanyl]-N-propan-2-ylpropan-2-amine has a molecular weight of 800.97 g/mol, XLogP of 7.56, 32 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-[2-[2-[2-[2-[bis(4-methoxyphenyl)-phenylmethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy-(3-methyliminopropoxy)phosphanyl]-N-propan-2-ylpropan-2-amine is sourced from PubChem (CID 167244409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).