ethyl (3-phenylpropanoylamino) carbonate

C12H15NO4 — CID 177376018

IUPACethyl (3-phenylpropanoylamino) carbonate
SMILESCCOC(=O)ONC(=O)CCc1ccccc1
InChIInChI=1S/C12H15NO4/c1-2-16-12(15)17-13-11(14)9-8-10-6-4-3-5-7-10/h3-7H,2,8-9H2,1H3,(H,13,14)
InChIKeyLTMKJXIUTMNOTI-UHFFFAOYSA-N
MW237.25 g/mol
LogP1.82
Rot. Bonds4

About ethyl (3-phenylpropanoylamino) carbonate

ethyl (3-phenylpropanoylamino) carbonate (PubChem CID 177376018) has the molecular formula C12H15NO4 and a molecular weight of 237.25 g/mol. Its IUPAC name is ethyl (3-phenylpropanoylamino) carbonate.

Molecular Properties

Compound Nameethyl (3-phenylpropanoylamino) carbonate
PubChem CID177376018
Molecular FormulaC12H15NO4
Molecular Weight237.25 g/mol
Exact Mass237.10
IUPAC Nameethyl (3-phenylpropanoylamino) carbonate
SMILESCCOC(=O)ONC(=O)CCc1ccccc1
InChIInChI=1S/C12H15NO4/c1-2-16-12(15)17-13-11(14)9-8-10-6-4-3-5-7-10/h3-7H,2,8-9H2,1H3,(H,13,14)
InChIKeyLTMKJXIUTMNOTI-UHFFFAOYSA-N
XLogP1.82
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.25
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-hydroxy-4-phenylbutanamide
CID 279980
N-hydroxy-2-phenylacetamide
CID 220184
8-Phenyl-octanoic acid hydroxyamide
CID 14098189
N-hydroxy-2-methyl-4-phenylbutanamide
CID 3787
N-hydroxy-3-phenylpropanamide
CID 4118131
9-Phenylnonanohydroxamic acid
CID 188382
(1S,6S)-N-methoxy-4-(4-methylpent-3-enyl)-6-phenylcyclohex-3-ene-1-carboxamide
CID 156015435
(1R,6R)-N-methoxy-4-(4-methylpent-3-enyl)-6-phenylcyclohex-3-ene-1-carboxamide
CID 156019243
N-hydroxy-5-phenylpentanamide
CID 279981
N-Methoxy-3-phenylpropanamide
CID 13836226
N-Hydroxy-7-phenylheptanamide
CID 14098188
N-(allyloxy)-2-phenylacetamide
CID 14273298

Frequently Asked Questions

What is the IUPAC name of ethyl (3-phenylpropanoylamino) carbonate?
The IUPAC name of ethyl (3-phenylpropanoylamino) carbonate (CID 177376018) is ethyl (3-phenylpropanoylamino) carbonate.
What is the SMILES notation for ethyl (3-phenylpropanoylamino) carbonate?
The canonical SMILES for ethyl (3-phenylpropanoylamino) carbonate is CCOC(=O)ONC(=O)CCc1ccccc1.
What is the InChIKey of ethyl (3-phenylpropanoylamino) carbonate?
The InChIKey is LTMKJXIUTMNOTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO4/c1-2-16-12(15)17-13-11(14)9-8-10-6-4-3-5-7-10/h3-7H,2,8-9H2,1H3,(H,13,14).
What are the key properties of ethyl (3-phenylpropanoylamino) carbonate?
ethyl (3-phenylpropanoylamino) carbonate has a molecular weight of 237.25 g/mol, XLogP of 1.82, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (3-phenylpropanoylamino) carbonate is sourced from PubChem (CID 177376018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).