10-(2-phenylethylcarbamoyloxy)deca-4,6-diynyl N-(2-phenylethyl)carbamate

C28H32N2O4 — CID 168908373

IUPAC10-(2-phenylethylcarbamoyloxy)deca-4,6-diynyl N-(2-phenylethyl)carbamate
SMILESO=C(NCCc1ccccc1)OCCCC#CC#CCCCOC(=O)NCCc1ccccc1
InChIInChI=1S/C28H32N2O4/c31-27(29-21-19-25-15-9-7-10-16-25)33-23-13-5-3-1-2-4-6-14-24-34-28(32)30-22-20-26-17-11-8-12-18-26/h7-12,15-18H,5-6,13-14,19-24H2,(H,29,31)(H,30,32)
InChIKeyPYTFDRBRYNLILW-UHFFFAOYSA-N
MW460.57 g/mol
LogP4.49
Rot. Bonds12

About 10-(2-phenylethylcarbamoyloxy)deca-4,6-diynyl N-(2-phenylethyl)carbamate

10-(2-phenylethylcarbamoyloxy)deca-4,6-diynyl N-(2-phenylethyl)carbamate (PubChem CID 168908373) has the molecular formula C28H32N2O4 and a molecular weight of 460.57 g/mol. Its IUPAC name is 10-(2-phenylethylcarbamoyloxy)deca-4,6-diynyl N-(2-phenylethyl)carbamate.

Molecular Properties

Compound Name10-(2-phenylethylcarbamoyloxy)deca-4,6-diynyl N-(2-phenylethyl)carbamate
PubChem CID168908373
Molecular FormulaC28H32N2O4
Molecular Weight460.57 g/mol
Exact Mass460.24
IUPAC Name10-(2-phenylethylcarbamoyloxy)deca-4,6-diynyl N-(2-phenylethyl)carbamate
SMILESO=C(NCCc1ccccc1)OCCCC#CC#CCCCOC(=O)NCCc1ccccc1
InChIInChI=1S/C28H32N2O4/c31-27(29-21-19-25-15-9-7-10-16-25)33-23-13-5-3-1-2-4-6-14-24-34-28(32)30-22-20-26-17-11-8-12-18-26/h7-12,15-18H,5-6,13-14,19-24H2,(H,29,31)(H,30,32)
InChIKeyPYTFDRBRYNLILW-UHFFFAOYSA-N
XLogP4.49
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.57
LogP ≤ 54.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 10-(2-phenylethylcarbamoyloxy)deca-4,6-diynyl N-(2-phenylethyl)carbamate 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

2-phenylethyl N-(4-phenylbutyl)carbamate
CID 23058488
3-phenylpropyl N-(2-phenoxyethyl)carbamate
CID 6733581
butyl N-(5-phenylpentyl)carbamate
CID 69404409
decyl N-(4-phenylbutyl)carbamate
CID 101211373
benzyl N-[2-(4-hydroxyphenyl)ethyl]carbamate
CID 14103856
3-phenylpropyl N-(2-cyclopentylethyl)carbamate
CID 54331746
phenyl N-(2-phenylethyl)carbamate
CID 12632743
benzyl N-[2-(4-ethylphenyl)ethyl]carbamate
CID 90974027
ethyl N-[4-oxo-4-(2-phenylethylamino)butyl]carbamate
CID 72946782
benzyl N-[2-(4-ethynylphenyl)ethyl]carbamate
CID 138986465
8-(phenylcarbamoyloxy)octa-3,5-diynyl N-phenylcarbamate
CID 15528686
3-(phenylmethoxycarbonylamino)propyl 6-bromohex-5-ynoate
CID 135074599

Frequently Asked Questions

What is the IUPAC name of 10-(2-phenylethylcarbamoyloxy)deca-4,6-diynyl N-(2-phenylethyl)carbamate?
The IUPAC name of 10-(2-phenylethylcarbamoyloxy)deca-4,6-diynyl N-(2-phenylethyl)carbamate (CID 168908373) is 10-(2-phenylethylcarbamoyloxy)deca-4,6-diynyl N-(2-phenylethyl)carbamate.
What is the SMILES notation for 10-(2-phenylethylcarbamoyloxy)deca-4,6-diynyl N-(2-phenylethyl)carbamate?
The canonical SMILES for 10-(2-phenylethylcarbamoyloxy)deca-4,6-diynyl N-(2-phenylethyl)carbamate is O=C(NCCc1ccccc1)OCCCC#CC#CCCCOC(=O)NCCc1ccccc1.
What is the InChIKey of 10-(2-phenylethylcarbamoyloxy)deca-4,6-diynyl N-(2-phenylethyl)carbamate?
The InChIKey is PYTFDRBRYNLILW-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H32N2O4/c31-27(29-21-19-25-15-9-7-10-16-25)33-23-13-5-3-1-2-4-6-14-24-34-28(32)30-22-20-26-17-11-8-12-18-26/h7-12,15-18H,5-6,13-14,19-24H2,(H,29,31)(H,30,32).
What are the key properties of 10-(2-phenylethylcarbamoyloxy)deca-4,6-diynyl N-(2-phenylethyl)carbamate?
10-(2-phenylethylcarbamoyloxy)deca-4,6-diynyl N-(2-phenylethyl)carbamate has a molecular weight of 460.57 g/mol, XLogP of 4.49, 12 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 10-(2-phenylethylcarbamoyloxy)deca-4,6-diynyl N-(2-phenylethyl)carbamate is sourced from PubChem (CID 168908373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).