[3-(ethoxycarbonylamino)phenyl] 3-phenylpropanoate

C18H19NO4 — CID 51154456

IUPAC[3-(ethoxycarbonylamino)phenyl] 3-phenylpropanoate
SMILESCCOC(=O)Nc1cccc(OC(=O)CCc2ccccc2)c1
InChIInChI=1S/C18H19NO4/c1-2-22-18(21)19-15-9-6-10-16(13-15)23-17(20)12-11-14-7-4-3-5-8-14/h3-10,13H,2,11-12H2,1H3,(H,19,21)
InChIKeySMIQIESJFKVBSA-UHFFFAOYSA-N
MW313.35 g/mol
LogP3.79
Rot. Bonds6

About [3-(ethoxycarbonylamino)phenyl] 3-phenylpropanoate

[3-(ethoxycarbonylamino)phenyl] 3-phenylpropanoate (PubChem CID 51154456) has the molecular formula C18H19NO4 and a molecular weight of 313.35 g/mol. Its IUPAC name is [3-(ethoxycarbonylamino)phenyl] 3-phenylpropanoate.

Molecular Properties

Compound Name[3-(ethoxycarbonylamino)phenyl] 3-phenylpropanoate
PubChem CID51154456
Molecular FormulaC18H19NO4
Molecular Weight313.35 g/mol
Exact Mass313.13
IUPAC Name[3-(ethoxycarbonylamino)phenyl] 3-phenylpropanoate
SMILESCCOC(=O)Nc1cccc(OC(=O)CCc2ccccc2)c1
InChIInChI=1S/C18H19NO4/c1-2-22-18(21)19-15-9-6-10-16(13-15)23-17(20)12-11-14-7-4-3-5-8-14/h3-10,13H,2,11-12H2,1H3,(H,19,21)
InChIKeySMIQIESJFKVBSA-UHFFFAOYSA-N
XLogP3.79
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.35
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

[3-(ethoxycarbonylamino)phenyl] 3-(2-fluorophenyl)propanoate
CID 51182446
ethyl N-[3-(ethoxycarbonylamino)phenyl]carbamate
CID 897252
[3-(ethoxycarbonylamino)phenyl]carbamic acid
CID 12763081
ethyl N-(3-propoxyphenyl)carbamate
CID 60643143
ethyl N-[3-(difluoromethoxy)phenyl]carbamate
CID 61062462
CID 70464798
CID 70464798
[3-(2-amino-2-methylpropyl)phenyl] 3-phenylpropanoate
CID 91017548
(3,4-dimethylphenyl) 3-phenylpropanoate
CID 733835
ethyl N-[3-(2-methylpropoxy)phenyl]carbamate
CID 60643144
(3-methylphenyl) N-(3-ethoxyphenyl)carbamate
CID 56690131
[3-(propanoylamino)phenyl] N-phenylcarbamate
CID 57133762
[3-(ethoxycarbonylamino)phenyl] (E)-3-(4-fluorophenyl)prop-2-enoate
CID 34739287

Frequently Asked Questions

What is the IUPAC name of [3-(ethoxycarbonylamino)phenyl] 3-phenylpropanoate?
The IUPAC name of [3-(ethoxycarbonylamino)phenyl] 3-phenylpropanoate (CID 51154456) is [3-(ethoxycarbonylamino)phenyl] 3-phenylpropanoate.
What is the SMILES notation for [3-(ethoxycarbonylamino)phenyl] 3-phenylpropanoate?
The canonical SMILES for [3-(ethoxycarbonylamino)phenyl] 3-phenylpropanoate is CCOC(=O)Nc1cccc(OC(=O)CCc2ccccc2)c1.
What is the InChIKey of [3-(ethoxycarbonylamino)phenyl] 3-phenylpropanoate?
The InChIKey is SMIQIESJFKVBSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO4/c1-2-22-18(21)19-15-9-6-10-16(13-15)23-17(20)12-11-14-7-4-3-5-8-14/h3-10,13H,2,11-12H2,1H3,(H,19,21).
What are the key properties of [3-(ethoxycarbonylamino)phenyl] 3-phenylpropanoate?
[3-(ethoxycarbonylamino)phenyl] 3-phenylpropanoate has a molecular weight of 313.35 g/mol, XLogP of 3.79, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(ethoxycarbonylamino)phenyl] 3-phenylpropanoate is sourced from PubChem (CID 51154456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).