ethyl N-(3-phenylpropanoyl)carbamate

C12H15NO3 — CID 141071661

IUPACethyl N-(3-phenylpropanoyl)carbamate
SMILESCCOC(=O)NC(=O)CCc1ccccc1
InChIInChI=1S/C12H15NO3/c1-2-16-12(15)13-11(14)9-8-10-6-4-3-5-7-10/h3-7H,2,8-9H2,1H3,(H,13,14,15)
InChIKeyADXMELDROUUZJI-UHFFFAOYSA-N
MW221.26 g/mol
LogP1.89
Rot. Bonds4

About ethyl N-(3-phenylpropanoyl)carbamate

ethyl N-(3-phenylpropanoyl)carbamate (PubChem CID 141071661) has the molecular formula C12H15NO3 and a molecular weight of 221.26 g/mol. Its IUPAC name is ethyl N-(3-phenylpropanoyl)carbamate.

Molecular Properties

Compound Nameethyl N-(3-phenylpropanoyl)carbamate
PubChem CID141071661
Molecular FormulaC12H15NO3
Molecular Weight221.26 g/mol
Exact Mass221.11
IUPAC Nameethyl N-(3-phenylpropanoyl)carbamate
SMILESCCOC(=O)NC(=O)CCc1ccccc1
InChIInChI=1S/C12H15NO3/c1-2-16-12(15)13-11(14)9-8-10-6-4-3-5-7-10/h3-7H,2,8-9H2,1H3,(H,13,14,15)
InChIKeyADXMELDROUUZJI-UHFFFAOYSA-N
XLogP1.89
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.26
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl N-[2-(3-phenylpropanoylamino)thiophene-3-carbonyl]carbamate
CID 7167179
ethyl N-(benzylcarbamoyl)carbamate
CID 2748727
ethyl N-[4-oxo-4-(2-phenylethylamino)butyl]carbamate
CID 72946782
benzyl N-(3-aminopropanoyl)carbamate
CID 54479844
[2-(ethoxycarbonylamino)-2-oxoethyl] benzoate
CID 2516974
benzene;ethyl N-benzylcarbamate
CID 67715166
ethyl 2,3-dioxo-5-phenylpentanoate
CID 125467281
ethyl carbonochloridate;3-phenylpropanoic acid
CID 174421016
ethyl 2-(3-phenylpropanoylsulfanyl)acetate
CID 175502807
N-hydroxy-3-[4-(2-phenylethyl)phenyl]propanamide
CID 22986796
ethyl 4-(methoxycarbonylcarbamoyl)-3-methyl-5-(3-phenylpropanoylamino)thiophene-2-carboxylate
CID 7521366
ethyl 4-methyl-2-(3-phenylpropanoylamino)-1,3-thiazole-5-carboxylate
CID 2072961

Frequently Asked Questions

What is the IUPAC name of ethyl N-(3-phenylpropanoyl)carbamate?
The IUPAC name of ethyl N-(3-phenylpropanoyl)carbamate (CID 141071661) is ethyl N-(3-phenylpropanoyl)carbamate.
What is the SMILES notation for ethyl N-(3-phenylpropanoyl)carbamate?
The canonical SMILES for ethyl N-(3-phenylpropanoyl)carbamate is CCOC(=O)NC(=O)CCc1ccccc1.
What is the InChIKey of ethyl N-(3-phenylpropanoyl)carbamate?
The InChIKey is ADXMELDROUUZJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO3/c1-2-16-12(15)13-11(14)9-8-10-6-4-3-5-7-10/h3-7H,2,8-9H2,1H3,(H,13,14,15).
What are the key properties of ethyl N-(3-phenylpropanoyl)carbamate?
ethyl N-(3-phenylpropanoyl)carbamate has a molecular weight of 221.26 g/mol, XLogP of 1.89, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-(3-phenylpropanoyl)carbamate is sourced from PubChem (CID 141071661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).