N-diethoxyphosphoryl-N-phenylmethoxybutan-1-amine

C15H26NO4P — CID 11461199

IUPACN-diethoxyphosphoryl-N-phenylmethoxybutan-1-amine
SMILESCCCCN(OCc1ccccc1)P(=O)(OCC)OCC
InChIInChI=1S/C15H26NO4P/c1-4-7-13-16(21(17,19-5-2)20-6-3)18-14-15-11-9-8-10-12-15/h8-12H,4-7,13-14H2,1-3H3
InChIKeyPNJFWHBLWQHBEG-UHFFFAOYSA-N
MW315.35 g/mol
LogP4.40
Rot. Bonds11

About N-diethoxyphosphoryl-N-phenylmethoxybutan-1-amine

N-diethoxyphosphoryl-N-phenylmethoxybutan-1-amine (PubChem CID 11461199) has the molecular formula C15H26NO4P and a molecular weight of 315.35 g/mol. Its IUPAC name is N-diethoxyphosphoryl-N-phenylmethoxybutan-1-amine.

Molecular Properties

Compound NameN-diethoxyphosphoryl-N-phenylmethoxybutan-1-amine
PubChem CID11461199
Molecular FormulaC15H26NO4P
Molecular Weight315.35 g/mol
Exact Mass315.16
IUPAC NameN-diethoxyphosphoryl-N-phenylmethoxybutan-1-amine
SMILESCCCCN(OCc1ccccc1)P(=O)(OCC)OCC
InChIInChI=1S/C15H26NO4P/c1-4-7-13-16(21(17,19-5-2)20-6-3)18-14-15-11-9-8-10-12-15/h8-12H,4-7,13-14H2,1-3H3
InChIKeyPNJFWHBLWQHBEG-UHFFFAOYSA-N
XLogP4.40
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.35
LogP ≤ 54.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-diethoxyphosphoryl-N-phenylmethoxybutan-1-amine?
The IUPAC name of N-diethoxyphosphoryl-N-phenylmethoxybutan-1-amine (CID 11461199) is N-diethoxyphosphoryl-N-phenylmethoxybutan-1-amine.
What is the SMILES notation for N-diethoxyphosphoryl-N-phenylmethoxybutan-1-amine?
The canonical SMILES for N-diethoxyphosphoryl-N-phenylmethoxybutan-1-amine is CCCCN(OCc1ccccc1)P(=O)(OCC)OCC.
What is the InChIKey of N-diethoxyphosphoryl-N-phenylmethoxybutan-1-amine?
The InChIKey is PNJFWHBLWQHBEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26NO4P/c1-4-7-13-16(21(17,19-5-2)20-6-3)18-14-15-11-9-8-10-12-15/h8-12H,4-7,13-14H2,1-3H3.
What are the key properties of N-diethoxyphosphoryl-N-phenylmethoxybutan-1-amine?
N-diethoxyphosphoryl-N-phenylmethoxybutan-1-amine has a molecular weight of 315.35 g/mol, XLogP of 4.40, 11 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-diethoxyphosphoryl-N-phenylmethoxybutan-1-amine is sourced from PubChem (CID 11461199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).