benzyl N-[[methoxy(propylamino)phosphoryl]-phenylmethyl]carbamate

C19H25N2O4P — CID 44574864

IUPACbenzyl N-[[methoxy(propylamino)phosphoryl]-phenylmethyl]carbamate
SMILESCCCNP(=O)(OC)C(NC(=O)OCc1ccccc1)c1ccccc1
InChIInChI=1S/C19H25N2O4P/c1-3-14-20-26(23,24-2)18(17-12-8-5-9-13-17)21-19(22)25-15-16-10-6-4-7-11-16/h4-13,18H,3,14-15H2,1-2H3,(H,20,23)(H,21,22)
InChIKeyCNEWOAMXZLQZFA-UHFFFAOYSA-N
MW376.39 g/mol
LogP4.45
Rot. Bonds9

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

benzyl N-[[methoxy(propylamino)phosphoryl]-phenylmethyl]carbamate (PubChem CID 44574864) has the molecular formula C19H25N2O4P and a molecular weight of 376.39 g/mol. Its IUPAC name is benzyl N-[[methoxy(propylamino)phosphoryl]-phenylmethyl]carbamate.

Molecular Properties

Compound Namebenzyl N-[[methoxy(propylamino)phosphoryl]-phenylmethyl]carbamate
PubChem CID44574864
Molecular FormulaC19H25N2O4P
Molecular Weight376.39 g/mol
Exact Mass376.16
IUPAC Namebenzyl N-[[methoxy(propylamino)phosphoryl]-phenylmethyl]carbamate
SMILESCCCNP(=O)(OC)C(NC(=O)OCc1ccccc1)c1ccccc1
InChIInChI=1S/C19H25N2O4P/c1-3-14-20-26(23,24-2)18(17-12-8-5-9-13-17)21-19(22)25-15-16-10-6-4-7-11-16/h4-13,18H,3,14-15H2,1-2H3,(H,20,23)(H,21,22)
InChIKeyCNEWOAMXZLQZFA-UHFFFAOYSA-N
XLogP4.45
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.39
LogP ≤ 54.45
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-[[methoxy(propylamino)phosphoryl]-phenylmethyl]carbamate?
The IUPAC name of benzyl N-[[methoxy(propylamino)phosphoryl]-phenylmethyl]carbamate (CID 44574864) is benzyl N-[[methoxy(propylamino)phosphoryl]-phenylmethyl]carbamate.
What is the SMILES notation for benzyl N-[[methoxy(propylamino)phosphoryl]-phenylmethyl]carbamate?
The canonical SMILES for benzyl N-[[methoxy(propylamino)phosphoryl]-phenylmethyl]carbamate is CCCNP(=O)(OC)C(NC(=O)OCc1ccccc1)c1ccccc1.
What is the InChIKey of benzyl N-[[methoxy(propylamino)phosphoryl]-phenylmethyl]carbamate?
The InChIKey is CNEWOAMXZLQZFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N2O4P/c1-3-14-20-26(23,24-2)18(17-12-8-5-9-13-17)21-19(22)25-15-16-10-6-4-7-11-16/h4-13,18H,3,14-15H2,1-2H3,(H,20,23)(H,21,22).
What are the key properties of benzyl N-[[methoxy(propylamino)phosphoryl]-phenylmethyl]carbamate?
benzyl N-[[methoxy(propylamino)phosphoryl]-phenylmethyl]carbamate has a molecular weight of 376.39 g/mol, XLogP of 4.45, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-[[methoxy(propylamino)phosphoryl]-phenylmethyl]carbamate is sourced from PubChem (CID 44574864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).