benzyl N-[1-[methoxy(propylamino)phosphoryl]propyl]carbamate

C15H25N2O4P — CID 44574863

IUPACbenzyl N-[1-[methoxy(propylamino)phosphoryl]propyl]carbamate
SMILESCCCNP(=O)(OC)C(CC)NC(=O)OCc1ccccc1
InChIInChI=1S/C15H25N2O4P/c1-4-11-16-22(19,20-3)14(5-2)17-15(18)21-12-13-9-7-6-8-10-13/h6-10,14H,4-5,11-12H2,1-3H3,(H,16,19)(H,17,18)
InChIKeyWJGYXAHDEKGROD-UHFFFAOYSA-N
MW328.35 g/mol
LogP3.49
Rot. Bonds9

About benzyl N-[1-[methoxy(propylamino)phosphoryl]propyl]carbamate

benzyl N-[1-[methoxy(propylamino)phosphoryl]propyl]carbamate (PubChem CID 44574863) has the molecular formula C15H25N2O4P and a molecular weight of 328.35 g/mol. Its IUPAC name is benzyl N-[1-[methoxy(propylamino)phosphoryl]propyl]carbamate.

Molecular Properties

Compound Namebenzyl N-[1-[methoxy(propylamino)phosphoryl]propyl]carbamate
PubChem CID44574863
Molecular FormulaC15H25N2O4P
Molecular Weight328.35 g/mol
Exact Mass328.16
IUPAC Namebenzyl N-[1-[methoxy(propylamino)phosphoryl]propyl]carbamate
SMILESCCCNP(=O)(OC)C(CC)NC(=O)OCc1ccccc1
InChIInChI=1S/C15H25N2O4P/c1-4-11-16-22(19,20-3)14(5-2)17-15(18)21-12-13-9-7-6-8-10-13/h6-10,14H,4-5,11-12H2,1-3H3,(H,16,19)(H,17,18)
InChIKeyWJGYXAHDEKGROD-UHFFFAOYSA-N
XLogP3.49
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.35
LogP ≤ 53.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of benzyl N-[1-[methoxy(propylamino)phosphoryl]propyl]carbamate?
The IUPAC name of benzyl N-[1-[methoxy(propylamino)phosphoryl]propyl]carbamate (CID 44574863) is benzyl N-[1-[methoxy(propylamino)phosphoryl]propyl]carbamate.
What is the SMILES notation for benzyl N-[1-[methoxy(propylamino)phosphoryl]propyl]carbamate?
The canonical SMILES for benzyl N-[1-[methoxy(propylamino)phosphoryl]propyl]carbamate is CCCNP(=O)(OC)C(CC)NC(=O)OCc1ccccc1.
What is the InChIKey of benzyl N-[1-[methoxy(propylamino)phosphoryl]propyl]carbamate?
The InChIKey is WJGYXAHDEKGROD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N2O4P/c1-4-11-16-22(19,20-3)14(5-2)17-15(18)21-12-13-9-7-6-8-10-13/h6-10,14H,4-5,11-12H2,1-3H3,(H,16,19)(H,17,18).
What are the key properties of benzyl N-[1-[methoxy(propylamino)phosphoryl]propyl]carbamate?
benzyl N-[1-[methoxy(propylamino)phosphoryl]propyl]carbamate has a molecular weight of 328.35 g/mol, XLogP of 3.49, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-[1-[methoxy(propylamino)phosphoryl]propyl]carbamate is sourced from PubChem (CID 44574863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).