acetamide;phenyl propanoate

C11H15NO3 — CID 175120271

IUPACacetamide;phenyl propanoate
SMILESCC(N)=O.CCC(=O)Oc1ccccc1
InChIInChI=1S/C9H10O2.C2H5NO/c1-2-9(10)11-8-6-4-3-5-7-8;1-2(3)4/h3-7H,2H2,1H3;1H3,(H2,3,4)
InChIKeyJPBWQBBPESLYCV-UHFFFAOYSA-N
MW209.24 g/mol
LogP1.49
Rot. Bonds2

About acetamide;phenyl propanoate

acetamide;phenyl propanoate (PubChem CID 175120271) has the molecular formula C11H15NO3 and a molecular weight of 209.24 g/mol. Its IUPAC name is acetamide;phenyl propanoate.

Molecular Properties

Compound Nameacetamide;phenyl propanoate
PubChem CID175120271
Molecular FormulaC11H15NO3
Molecular Weight209.24 g/mol
Exact Mass209.11
IUPAC Nameacetamide;phenyl propanoate
SMILESCC(N)=O.CCC(=O)Oc1ccccc1
InChIInChI=1S/C9H10O2.C2H5NO/c1-2-9(10)11-8-6-4-3-5-7-8;1-2(3)4/h3-7H,2H2,1H3;1H3,(H2,3,4)
InChIKeyJPBWQBBPESLYCV-UHFFFAOYSA-N
XLogP1.49
TPSA69.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.24
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

phenyl propanoate
CID 161258381
CID 161494205
CID 161494205
phenyl butanoate;phenyl propanoate
CID 139490117
pentyl acetate;phenyl propanoate
CID 174870312
phenyl propanoate;3-phenylpropanoic acid
CID 157245638
butane;phenyl carbamate
CID 145076324
phenyl butanoate
CID 20354
alumane;phenyl butanoate
CID 174579212
phenyl butanoate;zirconium
CID 175596905
[4-(benzylsulfanylmethyl)phenyl] propanoate
CID 150328097
[4-(aminomethyl)phenyl] propanoate
CID 23063742
sodium;1-O-ethyl 3-O-phenyl propanedioate;hydride
CID 175262999

Frequently Asked Questions

What is the IUPAC name of acetamide;phenyl propanoate?
The IUPAC name of acetamide;phenyl propanoate (CID 175120271) is acetamide;phenyl propanoate.
What is the SMILES notation for acetamide;phenyl propanoate?
The canonical SMILES for acetamide;phenyl propanoate is CC(N)=O.CCC(=O)Oc1ccccc1.
What is the InChIKey of acetamide;phenyl propanoate?
The InChIKey is JPBWQBBPESLYCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10O2.C2H5NO/c1-2-9(10)11-8-6-4-3-5-7-8;1-2(3)4/h3-7H,2H2,1H3;1H3,(H2,3,4).
What are the key properties of acetamide;phenyl propanoate?
acetamide;phenyl propanoate has a molecular weight of 209.24 g/mol, XLogP of 1.49, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for acetamide;phenyl propanoate is sourced from PubChem (CID 175120271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).