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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Related Compounds

Benzyl 1-phenylethylcarbamate
CID 9837961
Benzyl benzylcarbamate
CID 4935691
benzyl N-[[phenoxy(phenyl)phosphoryl]-phenylmethyl]carbamate
CID 156011598
Benzyl phenethylcarbamate
CID 4779135
Dibenzyl hexane-1,6-diylbiscarbamate
CID 262042
Benzyl N-[(benzylcarbamoyl)methyl]carbamate
CID 3101231
(N-(Benzyloxycarbonyl)amino)(4-amidinophenyl)methane-phosphonate
CID 447110
benzyl N-[3-methyl-1-[phenoxy(propyl)phosphoryl]butyl]carbamate
CID 156011718
benzyl N-[[phenoxy(propyl)phosphoryl]-phenylmethyl]carbamate
CID 156015225
benzyl N-[(1S)-1-phenylbut-3-en-1-yl]carbamate
CID 95241701
(2S)-2-[3-(azaniumylmethyl)phenyl]-3-[[(1R)-2-methyl-1-(phenylmethoxycarbonylamino)propyl]-oxidophosphoryl]propanoate
CID 44629487
alpha-Oxycarbanilinophosphonate, 4l
CID 101962164

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).