N-bis(phenylmethoxy)phosphoryl-N-propan-2-ylpropan-2-amine

C20H28NO3P — CID 11057523

IUPACN-bis(phenylmethoxy)phosphoryl-N-propan-2-ylpropan-2-amine
SMILESCC(C)N(C(C)C)P(=O)(OCc1ccccc1)OCc1ccccc1
InChIInChI=1S/C20H28NO3P/c1-17(2)21(18(3)4)25(22,23-15-19-11-7-5-8-12-19)24-16-20-13-9-6-10-14-20/h5-14,17-18H,15-16H2,1-4H3
InChIKeySGECHWQKWQJBAO-UHFFFAOYSA-N
MW361.42 g/mol
LogP5.65
Rot. Bonds9

About N-bis(phenylmethoxy)phosphoryl-N-propan-2-ylpropan-2-amine

N-bis(phenylmethoxy)phosphoryl-N-propan-2-ylpropan-2-amine (PubChem CID 11057523) has the molecular formula C20H28NO3P and a molecular weight of 361.42 g/mol. Its IUPAC name is N-bis(phenylmethoxy)phosphoryl-N-propan-2-ylpropan-2-amine.

Molecular Properties

Compound NameN-bis(phenylmethoxy)phosphoryl-N-propan-2-ylpropan-2-amine
PubChem CID11057523
Molecular FormulaC20H28NO3P
Molecular Weight361.42 g/mol
Exact Mass361.18
IUPAC NameN-bis(phenylmethoxy)phosphoryl-N-propan-2-ylpropan-2-amine
SMILESCC(C)N(C(C)C)P(=O)(OCc1ccccc1)OCc1ccccc1
InChIInChI=1S/C20H28NO3P/c1-17(2)21(18(3)4)25(22,23-15-19-11-7-5-8-12-19)24-16-20-13-9-6-10-14-20/h5-14,17-18H,15-16H2,1-4H3
InChIKeySGECHWQKWQJBAO-UHFFFAOYSA-N
XLogP5.65
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500361.42
LogP ≤ 55.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-bis(phenylmethoxy)phosphoryl-N-propan-2-ylpropan-2-amine?
The IUPAC name of N-bis(phenylmethoxy)phosphoryl-N-propan-2-ylpropan-2-amine (CID 11057523) is N-bis(phenylmethoxy)phosphoryl-N-propan-2-ylpropan-2-amine.
What is the SMILES notation for N-bis(phenylmethoxy)phosphoryl-N-propan-2-ylpropan-2-amine?
The canonical SMILES for N-bis(phenylmethoxy)phosphoryl-N-propan-2-ylpropan-2-amine is CC(C)N(C(C)C)P(=O)(OCc1ccccc1)OCc1ccccc1.
What is the InChIKey of N-bis(phenylmethoxy)phosphoryl-N-propan-2-ylpropan-2-amine?
The InChIKey is SGECHWQKWQJBAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28NO3P/c1-17(2)21(18(3)4)25(22,23-15-19-11-7-5-8-12-19)24-16-20-13-9-6-10-14-20/h5-14,17-18H,15-16H2,1-4H3.
What are the key properties of N-bis(phenylmethoxy)phosphoryl-N-propan-2-ylpropan-2-amine?
N-bis(phenylmethoxy)phosphoryl-N-propan-2-ylpropan-2-amine has a molecular weight of 361.42 g/mol, XLogP of 5.65, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-bis(phenylmethoxy)phosphoryl-N-propan-2-ylpropan-2-amine is sourced from PubChem (CID 11057523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).