benzene;5-carbamoyloxypentyl N-phenylcarbamate

C19H24N2O4 — CID 157392925

IUPACbenzene;5-carbamoyloxypentyl N-phenylcarbamate
SMILESNC(=O)OCCCCCOC(=O)Nc1ccccc1.c1ccccc1
InChIInChI=1S/C13H18N2O4.C6H6/c14-12(16)18-9-5-2-6-10-19-13(17)15-11-7-3-1-4-8-11;1-2-4-6-5-3-1/h1,3-4,7-8H,2,5-6,9-10H2,(H2,14,16)(H,15,17);1-6H
InChIKeyBMFKSAADRJYGST-UHFFFAOYSA-N
MW344.41 g/mol
LogP4.19
Rot. Bonds7

About benzene;5-carbamoyloxypentyl N-phenylcarbamate

benzene;5-carbamoyloxypentyl N-phenylcarbamate (PubChem CID 157392925) has the molecular formula C19H24N2O4 and a molecular weight of 344.41 g/mol. Its IUPAC name is benzene;5-carbamoyloxypentyl N-phenylcarbamate.

Molecular Properties

Compound Namebenzene;5-carbamoyloxypentyl N-phenylcarbamate
PubChem CID157392925
Molecular FormulaC19H24N2O4
Molecular Weight344.41 g/mol
Exact Mass344.17
IUPAC Namebenzene;5-carbamoyloxypentyl N-phenylcarbamate
SMILESNC(=O)OCCCCCOC(=O)Nc1ccccc1.c1ccccc1
InChIInChI=1S/C13H18N2O4.C6H6/c14-12(16)18-9-5-2-6-10-19-13(17)15-11-7-3-1-4-8-11;1-2-4-6-5-3-1/h1,3-4,7-8H,2,5-6,9-10H2,(H2,14,16)(H,15,17);1-6H
InChIKeyBMFKSAADRJYGST-UHFFFAOYSA-N
XLogP4.19
TPSA90.65 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.41
LogP ≤ 54.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze benzene;5-carbamoyloxypentyl 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
[(E)-16-(phenylcarbamoyloxy)hexadec-8-enyl] N-phenylcarbamate
CID 134983552
methyl 13-(phenylcarbamoyloxy)tridecanoate
CID 4152739
2-[2-(phenylcarbamoyloxy)ethoxy]ethyl N-phenylcarbamate
CID 4644419
dodecyl N-[4-(dodecoxycarbonylamino)phenyl]carbamate
CID 102360236
(5-anilino-4,4-difluoro-5-oxopentyl) carbamate
CID 175183183
8-(phenylcarbamoyloxy)octa-3,5-diynyl N-phenylcarbamate
CID 15528686
undecyl N-(4-phenyldiazenylphenyl)carbamate
CID 523158
8-phenyloctyl carbamate
CID 67180735
3-methylbutyl N-phenylcarbamate
CID 69480810
2-ethoxyethyl N-phenylcarbamate
CID 4101389
3-tris(trimethylsilyloxy)silylpropyl N-phenylcarbamate
CID 70115266

Frequently Asked Questions

What is the IUPAC name of benzene;5-carbamoyloxypentyl N-phenylcarbamate?
The IUPAC name of benzene;5-carbamoyloxypentyl N-phenylcarbamate (CID 157392925) is benzene;5-carbamoyloxypentyl N-phenylcarbamate.
What is the SMILES notation for benzene;5-carbamoyloxypentyl N-phenylcarbamate?
The canonical SMILES for benzene;5-carbamoyloxypentyl N-phenylcarbamate is NC(=O)OCCCCCOC(=O)Nc1ccccc1.c1ccccc1.
What is the InChIKey of benzene;5-carbamoyloxypentyl N-phenylcarbamate?
The InChIKey is BMFKSAADRJYGST-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O4.C6H6/c14-12(16)18-9-5-2-6-10-19-13(17)15-11-7-3-1-4-8-11;1-2-4-6-5-3-1/h1,3-4,7-8H,2,5-6,9-10H2,(H2,14,16)(H,15,17);1-6H.
What are the key properties of benzene;5-carbamoyloxypentyl N-phenylcarbamate?
benzene;5-carbamoyloxypentyl N-phenylcarbamate has a molecular weight of 344.41 g/mol, XLogP of 4.19, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzene;5-carbamoyloxypentyl N-phenylcarbamate is sourced from PubChem (CID 157392925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).