phenoxy(3-phenoxyprop-2-enyl)carbamic acid

C16H15NO4 — CID 173437232

IUPACphenoxy(3-phenoxyprop-2-enyl)carbamic acid
SMILESO=C(O)N(CC=COc1ccccc1)Oc1ccccc1
InChIInChI=1S/C16H15NO4/c18-16(19)17(21-15-10-5-2-6-11-15)12-7-13-20-14-8-3-1-4-9-14/h1-11,13H,12H2,(H,18,19)
InChIKeyBTQVQXAMRSCPGT-UHFFFAOYSA-N
MW285.30 g/mol
LogP3.55
Rot. Bonds6

About phenoxy(3-phenoxyprop-2-enyl)carbamic acid

phenoxy(3-phenoxyprop-2-enyl)carbamic acid (PubChem CID 173437232) has the molecular formula C16H15NO4 and a molecular weight of 285.30 g/mol. Its IUPAC name is phenoxy(3-phenoxyprop-2-enyl)carbamic acid.

Molecular Properties

Compound Namephenoxy(3-phenoxyprop-2-enyl)carbamic acid
PubChem CID173437232
Molecular FormulaC16H15NO4
Molecular Weight285.30 g/mol
Exact Mass285.10
IUPAC Namephenoxy(3-phenoxyprop-2-enyl)carbamic acid
SMILESO=C(O)N(CC=COc1ccccc1)Oc1ccccc1
InChIInChI=1S/C16H15NO4/c18-16(19)17(21-15-10-5-2-6-11-15)12-7-13-20-14-8-3-1-4-9-14/h1-11,13H,12H2,(H,18,19)
InChIKeyBTQVQXAMRSCPGT-UHFFFAOYSA-N
XLogP3.55
TPSA59.00 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.30
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze phenoxy(3-phenoxyprop-2-enyl)carbamic acid 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

ethyl(phenoxy)carbamic acid
CID 87330615
methyl (Z)-4-phenoxybut-3-enoate
CID 5371920
phenyl 4-phenoxybut-3-eneperoxoate
CID 174707517
3-phenoxyprop-2-enyl prop-2-enoate
CID 66647302
[(E)-3-phenoxyprop-2-enyl]benzene
CID 11961333
[(Z)-but-1-enoxy]benzene;ethane
CID 143220778
sodium;[acetyl(phenoxy)amino]methyl-hydroxy-oxophosphanium;hydride
CID 175412657
N-(2-aminoethyl)-N-phenoxyacetamide
CID 140502076
methyl 3-phenoxyprop-2-enoate
CID 74041310
octa-1,6-dienoxybenzene
CID 66617276
(4-hydroxy-3-methoxyphenyl)methyl-phenoxycarbamic acid
CID 88959300
2,6-dichloro-N-(3-phenoxyprop-2-enyl)pyridine-4-carboxamide
CID 173330673

Frequently Asked Questions

What is the IUPAC name of phenoxy(3-phenoxyprop-2-enyl)carbamic acid?
The IUPAC name of phenoxy(3-phenoxyprop-2-enyl)carbamic acid (CID 173437232) is phenoxy(3-phenoxyprop-2-enyl)carbamic acid.
What is the SMILES notation for phenoxy(3-phenoxyprop-2-enyl)carbamic acid?
The canonical SMILES for phenoxy(3-phenoxyprop-2-enyl)carbamic acid is O=C(O)N(CC=COc1ccccc1)Oc1ccccc1.
What is the InChIKey of phenoxy(3-phenoxyprop-2-enyl)carbamic acid?
The InChIKey is BTQVQXAMRSCPGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15NO4/c18-16(19)17(21-15-10-5-2-6-11-15)12-7-13-20-14-8-3-1-4-9-14/h1-11,13H,12H2,(H,18,19).
What are the key properties of phenoxy(3-phenoxyprop-2-enyl)carbamic acid?
phenoxy(3-phenoxyprop-2-enyl)carbamic acid has a molecular weight of 285.30 g/mol, XLogP of 3.55, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for phenoxy(3-phenoxyprop-2-enyl)carbamic acid is sourced from PubChem (CID 173437232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).