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

C14H23N2O4P — CID 44574823

IUPACbenzyl N-[1-[methoxy(propylamino)phosphoryl]ethyl]carbamate
SMILESCCCNP(=O)(OC)C(C)NC(=O)OCc1ccccc1
InChIInChI=1S/C14H23N2O4P/c1-4-10-15-21(18,19-3)12(2)16-14(17)20-11-13-8-6-5-7-9-13/h5-9,12H,4,10-11H2,1-3H3,(H,15,18)(H,16,17)
InChIKeyCQHLPFWOZWTDKS-UHFFFAOYSA-N
MW314.32 g/mol
LogP3.10
Rot. Bonds8

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

benzyl N-[1-[methoxy(propylamino)phosphoryl]ethyl]carbamate (PubChem CID 44574823) has the molecular formula C14H23N2O4P and a molecular weight of 314.32 g/mol. Its IUPAC name is benzyl N-[1-[methoxy(propylamino)phosphoryl]ethyl]carbamate.

Molecular Properties

Compound Namebenzyl N-[1-[methoxy(propylamino)phosphoryl]ethyl]carbamate
PubChem CID44574823
Molecular FormulaC14H23N2O4P
Molecular Weight314.32 g/mol
Exact Mass314.14
IUPAC Namebenzyl N-[1-[methoxy(propylamino)phosphoryl]ethyl]carbamate
SMILESCCCNP(=O)(OC)C(C)NC(=O)OCc1ccccc1
InChIInChI=1S/C14H23N2O4P/c1-4-10-15-21(18,19-3)12(2)16-14(17)20-11-13-8-6-5-7-9-13/h5-9,12H,4,10-11H2,1-3H3,(H,15,18)(H,16,17)
InChIKeyCQHLPFWOZWTDKS-UHFFFAOYSA-N
XLogP3.10
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.32
LogP ≤ 53.10
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]ethyl]carbamate?
The IUPAC name of benzyl N-[1-[methoxy(propylamino)phosphoryl]ethyl]carbamate (CID 44574823) is benzyl N-[1-[methoxy(propylamino)phosphoryl]ethyl]carbamate.
What is the SMILES notation for benzyl N-[1-[methoxy(propylamino)phosphoryl]ethyl]carbamate?
The canonical SMILES for benzyl N-[1-[methoxy(propylamino)phosphoryl]ethyl]carbamate is CCCNP(=O)(OC)C(C)NC(=O)OCc1ccccc1.
What is the InChIKey of benzyl N-[1-[methoxy(propylamino)phosphoryl]ethyl]carbamate?
The InChIKey is CQHLPFWOZWTDKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N2O4P/c1-4-10-15-21(18,19-3)12(2)16-14(17)20-11-13-8-6-5-7-9-13/h5-9,12H,4,10-11H2,1-3H3,(H,15,18)(H,16,17).
What are the key properties of benzyl N-[1-[methoxy(propylamino)phosphoryl]ethyl]carbamate?
benzyl N-[1-[methoxy(propylamino)phosphoryl]ethyl]carbamate has a molecular weight of 314.32 g/mol, XLogP of 3.10, 8 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]ethyl]carbamate is sourced from PubChem (CID 44574823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).