butane;phenylcarbamoyloxymethyl N-phenylcarbamate

C19H24N2O4 — CID 20571621

IUPACbutane;phenylcarbamoyloxymethyl N-phenylcarbamate
SMILESCCCC.O=C(Nc1ccccc1)OCOC(=O)Nc1ccccc1
InChIInChI=1S/C15H14N2O4.C4H10/c18-14(16-12-7-3-1-4-8-12)20-11-21-15(19)17-13-9-5-2-6-10-13;1-3-4-2/h1-10H,11H2,(H,16,18)(H,17,19);3-4H2,1-2H3
InChIKeyLOEMQLYFMJPFMT-UHFFFAOYSA-N
MW344.41 g/mol
LogP5.25
Rot. Bonds5

About butane;phenylcarbamoyloxymethyl N-phenylcarbamate

butane;phenylcarbamoyloxymethyl N-phenylcarbamate (PubChem CID 20571621) has the molecular formula C19H24N2O4 and a molecular weight of 344.41 g/mol. Its IUPAC name is butane;phenylcarbamoyloxymethyl N-phenylcarbamate.

Molecular Properties

Compound Namebutane;phenylcarbamoyloxymethyl N-phenylcarbamate
PubChem CID20571621
Molecular FormulaC19H24N2O4
Molecular Weight344.41 g/mol
Exact Mass344.17
IUPAC Namebutane;phenylcarbamoyloxymethyl N-phenylcarbamate
SMILESCCCC.O=C(Nc1ccccc1)OCOC(=O)Nc1ccccc1
InChIInChI=1S/C15H14N2O4.C4H10/c18-14(16-12-7-3-1-4-8-12)20-11-21-15(19)17-13-9-5-2-6-10-13;1-3-4-2/h1-10H,11H2,(H,16,18)(H,17,19);3-4H2,1-2H3
InChIKeyLOEMQLYFMJPFMT-UHFFFAOYSA-N
XLogP5.25
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500344.41
LogP ≤ 55.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze butane;phenylcarbamoyloxymethyl 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
2-ethoxyethyl N-phenylcarbamate
CID 4101389
2-[2-(phenylcarbamoyloxy)ethoxy]ethyl N-phenylcarbamate
CID 4644419
(2-methyl-2-methylsulfanylpropyl) N-phenylcarbamate
CID 154538662
3-methylbut-2-enyl N-phenylcarbamate
CID 824835
3-methylbutyl N-phenylcarbamate
CID 69480810
[4-(propoxycarbonylamino)phenyl]carbamic acid
CID 70130219
butylsulfanyl N-phenylcarbamate
CID 153334606
[3-(dipropylamino)-2-hydroxypropyl] N-phenylcarbamate;hydrochloride
CID 138401907
ethyl N-[3-(ethoxycarbonylamino)phenyl]carbamate
CID 897252
2-(methoxycarbonylamino)butyl N-phenylcarbamate
CID 3136023
2-(phenylcarbamoylamino)butyl N-phenylcarbamate
CID 123547961

Frequently Asked Questions

What is the IUPAC name of butane;phenylcarbamoyloxymethyl N-phenylcarbamate?
The IUPAC name of butane;phenylcarbamoyloxymethyl N-phenylcarbamate (CID 20571621) is butane;phenylcarbamoyloxymethyl N-phenylcarbamate.
What is the SMILES notation for butane;phenylcarbamoyloxymethyl N-phenylcarbamate?
The canonical SMILES for butane;phenylcarbamoyloxymethyl N-phenylcarbamate is CCCC.O=C(Nc1ccccc1)OCOC(=O)Nc1ccccc1.
What is the InChIKey of butane;phenylcarbamoyloxymethyl N-phenylcarbamate?
The InChIKey is LOEMQLYFMJPFMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O4.C4H10/c18-14(16-12-7-3-1-4-8-12)20-11-21-15(19)17-13-9-5-2-6-10-13;1-3-4-2/h1-10H,11H2,(H,16,18)(H,17,19);3-4H2,1-2H3.
What are the key properties of butane;phenylcarbamoyloxymethyl N-phenylcarbamate?
butane;phenylcarbamoyloxymethyl N-phenylcarbamate has a molecular weight of 344.41 g/mol, XLogP of 5.25, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for butane;phenylcarbamoyloxymethyl N-phenylcarbamate is sourced from PubChem (CID 20571621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).