dibenzyl 1-[di(propan-2-yl)amino]ethyl phosphite

C22H32NO3P — CID 174548244

IUPACdibenzyl 1-[di(propan-2-yl)amino]ethyl phosphite
SMILESCC(C)N(C(C)C)C(C)OP(OCc1ccccc1)OCc1ccccc1
InChIInChI=1S/C22H32NO3P/c1-18(2)23(19(3)4)20(5)26-27(24-16-21-12-8-6-9-13-21)25-17-22-14-10-7-11-15-22/h6-15,18-20H,16-17H2,1-5H3
InChIKeyGUYWJZHQBUCGCD-UHFFFAOYSA-N
MW389.48 g/mol
LogP6.13
Rot. Bonds11

About dibenzyl 1-[di(propan-2-yl)amino]ethyl phosphite

dibenzyl 1-[di(propan-2-yl)amino]ethyl phosphite (PubChem CID 174548244) has the molecular formula C22H32NO3P and a molecular weight of 389.48 g/mol. Its IUPAC name is dibenzyl 1-[di(propan-2-yl)amino]ethyl phosphite.

Molecular Properties

Compound Namedibenzyl 1-[di(propan-2-yl)amino]ethyl phosphite
PubChem CID174548244
Molecular FormulaC22H32NO3P
Molecular Weight389.48 g/mol
Exact Mass389.21
IUPAC Namedibenzyl 1-[di(propan-2-yl)amino]ethyl phosphite
SMILESCC(C)N(C(C)C)C(C)OP(OCc1ccccc1)OCc1ccccc1
InChIInChI=1S/C22H32NO3P/c1-18(2)23(19(3)4)20(5)26-27(24-16-21-12-8-6-9-13-21)25-17-22-14-10-7-11-15-22/h6-15,18-20H,16-17H2,1-5H3
InChIKeyGUYWJZHQBUCGCD-UHFFFAOYSA-N
XLogP6.13
TPSA30.93 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500389.48
LogP ≤ 56.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

tribenzyl phosphite
CID 11810300
benzyl methyl phenyl phosphite
CID 19107157
N-[2-[2-[di(propan-2-yl)amino]ethyl-phenylmethoxyphosphanyl]ethyl]-N-propan-2-ylpropan-2-amine
CID 174959613
dibenzyl 1-[di(propan-2-yl)amino]ethyl phosphate
CID 174331135
benzyl ethyl [(2S)-1-(1H-imidazol-2-yl)propan-2-yl] phosphite
CID 11141349
[acetyl(methyl)amino] dibenzyl phosphite
CID 175297347
benzyl bis(prop-2-enyl) phosphite
CID 18961624
N,N-diethyl-1-phenylmethoxyethanamine
CID 22369442
dibenzyl [bis(2-chloroethyl)-dihydroxy-λ5-phosphanyl] phosphite
CID 88675839
[4-(benzenesulfonyl)phenyl]methyl dimethyl phosphite
CID 172699258
butan-2-yloxymethylbenzene;ethane
CID 161043537
benzyl chloromethyl heptyl phosphite
CID 170723146

Frequently Asked Questions

What is the IUPAC name of dibenzyl 1-[di(propan-2-yl)amino]ethyl phosphite?
The IUPAC name of dibenzyl 1-[di(propan-2-yl)amino]ethyl phosphite (CID 174548244) is dibenzyl 1-[di(propan-2-yl)amino]ethyl phosphite.
What is the SMILES notation for dibenzyl 1-[di(propan-2-yl)amino]ethyl phosphite?
The canonical SMILES for dibenzyl 1-[di(propan-2-yl)amino]ethyl phosphite is CC(C)N(C(C)C)C(C)OP(OCc1ccccc1)OCc1ccccc1.
What is the InChIKey of dibenzyl 1-[di(propan-2-yl)amino]ethyl phosphite?
The InChIKey is GUYWJZHQBUCGCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H32NO3P/c1-18(2)23(19(3)4)20(5)26-27(24-16-21-12-8-6-9-13-21)25-17-22-14-10-7-11-15-22/h6-15,18-20H,16-17H2,1-5H3.
What are the key properties of dibenzyl 1-[di(propan-2-yl)amino]ethyl phosphite?
dibenzyl 1-[di(propan-2-yl)amino]ethyl phosphite has a molecular weight of 389.48 g/mol, XLogP of 6.13, 11 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for dibenzyl 1-[di(propan-2-yl)amino]ethyl phosphite is sourced from PubChem (CID 174548244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).