[(2R)-3-hexadecoxy-2-(phenylcarbamoyloxy)propyl] N-phenylcarbamate

C33H50N2O5 — CID 71586856

IUPAC[(2R)-3-hexadecoxy-2-(phenylcarbamoyloxy)propyl] N-phenylcarbamate
SMILESCCCCCCCCCCCCCCCCOC[C@H](COC(=O)Nc1ccccc1)OC(=O)Nc1ccccc1
InChIInChI=1S/C33H50N2O5/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-21-26-38-27-31(40-33(37)35-30-24-19-16-20-25-30)28-39-32(36)34-29-22-17-15-18-23-29/h15-20,22-25,31H,2-14,21,26-28H2,1H3,(H,34,36)(H,35,37)/t31-/m1/s1
InChIKeyFAWJJLHEBKWGIJ-WJOKGBTCSA-N
MW554.77 g/mol
LogP9.35
Rot. Bonds22

About [(2R)-3-hexadecoxy-2-(phenylcarbamoyloxy)propyl] N-phenylcarbamate

[(2R)-3-hexadecoxy-2-(phenylcarbamoyloxy)propyl] N-phenylcarbamate (PubChem CID 71586856) has the molecular formula C33H50N2O5 and a molecular weight of 554.77 g/mol. Its IUPAC name is [(2R)-3-hexadecoxy-2-(phenylcarbamoyloxy)propyl] N-phenylcarbamate.

Molecular Properties

Compound Name[(2R)-3-hexadecoxy-2-(phenylcarbamoyloxy)propyl] N-phenylcarbamate
PubChem CID71586856
Molecular FormulaC33H50N2O5
Molecular Weight554.77 g/mol
Exact Mass554.37
IUPAC Name[(2R)-3-hexadecoxy-2-(phenylcarbamoyloxy)propyl] N-phenylcarbamate
SMILESCCCCCCCCCCCCCCCCOC[C@H](COC(=O)Nc1ccccc1)OC(=O)Nc1ccccc1
InChIInChI=1S/C33H50N2O5/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-21-26-38-27-31(40-33(37)35-30-24-19-16-20-25-30)28-39-32(36)34-29-22-17-15-18-23-29/h15-20,22-25,31H,2-14,21,26-28H2,1H3,(H,34,36)(H,35,37)/t31-/m1/s1
InChIKeyFAWJJLHEBKWGIJ-WJOKGBTCSA-N
XLogP9.35
TPSA85.89 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds22
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500554.77
LogP ≤ 59.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze [(2R)-3-hexadecoxy-2-(phenylcarbamoyloxy)propyl] N-phenylcarbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

dodecyl N-phenylcarbamate
CID 521818
dodecyl N-[4-(dodecoxycarbonylamino)phenyl]carbamate
CID 102360236
3,5-bis(phenylcarbamoyloxy)pentyl N-phenylcarbamate
CID 20688817
undecyl N-(4-phenyldiazenylphenyl)carbamate
CID 523158
[1-butoxy-3-(diethylamino)propan-2-yl] N-(2-heptoxyphenyl)carbamate;hydrochloride
CID 24836225
methyl (1-octadecoxy-3-trityloxypropan-2-yl) carbonate
CID 70521222
butane;phenylcarbamoyloxymethyl N-phenylcarbamate
CID 20571621
1-pentoxy-3-phenylurea
CID 5118367
dodecyl N-(4-hydroxyphenyl)carbamate
CID 139715223
decyl N-(4-hydroxyphenyl)carbamate
CID 139715215
2-ethoxyethyl N-phenylcarbamate
CID 4101389
benzene;5-carbamoyloxypentyl N-phenylcarbamate
CID 157392925

Frequently Asked Questions

What is the IUPAC name of [(2R)-3-hexadecoxy-2-(phenylcarbamoyloxy)propyl] N-phenylcarbamate?
The IUPAC name of [(2R)-3-hexadecoxy-2-(phenylcarbamoyloxy)propyl] N-phenylcarbamate (CID 71586856) is [(2R)-3-hexadecoxy-2-(phenylcarbamoyloxy)propyl] N-phenylcarbamate.
What is the SMILES notation for [(2R)-3-hexadecoxy-2-(phenylcarbamoyloxy)propyl] N-phenylcarbamate?
The canonical SMILES for [(2R)-3-hexadecoxy-2-(phenylcarbamoyloxy)propyl] N-phenylcarbamate is CCCCCCCCCCCCCCCCOC[C@H](COC(=O)Nc1ccccc1)OC(=O)Nc1ccccc1.
What is the InChIKey of [(2R)-3-hexadecoxy-2-(phenylcarbamoyloxy)propyl] N-phenylcarbamate?
The InChIKey is FAWJJLHEBKWGIJ-WJOKGBTCSA-N. The full InChI is InChI=1S/C33H50N2O5/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-21-26-38-27-31(40-33(37)35-30-24-19-16-20-25-30)28-39-32(36)34-29-22-17-15-18-23-29/h15-20,22-25,31H,2-14,21,26-28H2,1H3,(H,34,36)(H,35,37)/t31-/m1/s1.
What are the key properties of [(2R)-3-hexadecoxy-2-(phenylcarbamoyloxy)propyl] N-phenylcarbamate?
[(2R)-3-hexadecoxy-2-(phenylcarbamoyloxy)propyl] N-phenylcarbamate has a molecular weight of 554.77 g/mol, XLogP of 9.35, 22 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-3-hexadecoxy-2-(phenylcarbamoyloxy)propyl] N-phenylcarbamate is sourced from PubChem (CID 71586856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).