ethyl(phenacyl)carbamic acid

C11H13NO3 — CID 70573901

IUPACethyl(phenacyl)carbamic acid
SMILESCCN(CC(=O)c1ccccc1)C(=O)O
InChIInChI=1S/C11H13NO3/c1-2-12(11(14)15)8-10(13)9-6-4-3-5-7-9/h3-7H,2,8H2,1H3,(H,14,15)
InChIKeyUAVHCYOCPTZHSB-UHFFFAOYSA-N
MW207.23 g/mol
LogP1.87
Rot. Bonds4

About ethyl(phenacyl)carbamic acid

ethyl(phenacyl)carbamic acid (PubChem CID 70573901) has the molecular formula C11H13NO3 and a molecular weight of 207.23 g/mol. Its IUPAC name is ethyl(phenacyl)carbamic acid.

Molecular Properties

Compound Nameethyl(phenacyl)carbamic acid
PubChem CID70573901
Molecular FormulaC11H13NO3
Molecular Weight207.23 g/mol
Exact Mass207.09
IUPAC Nameethyl(phenacyl)carbamic acid
SMILESCCN(CC(=O)c1ccccc1)C(=O)O
InChIInChI=1S/C11H13NO3/c1-2-12(11(14)15)8-10(13)9-6-4-3-5-7-9/h3-7H,2,8H2,1H3,(H,14,15)
InChIKeyUAVHCYOCPTZHSB-UHFFFAOYSA-N
XLogP1.87
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.23
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-benzyl-N-phenacylacetamide
CID 10587901
N,N-diethyl-4-oxo-4-phenylbutanamide
CID 10399096
2-[ethyl(propyl)amino]-1-phenylethanone
CID 43795306
N,N-diethyl-2-[methyl-(4-oxo-4-phenylbutyl)amino]acetamide
CID 60695015
CID 174412487
CID 174412487
1-phenyl(111C)propan-1-one
CID 11159350
N,N-dimethylmethanamine;1-phenylpropan-1-one
CID 174454319
2-[ethyl-(2-phenacylsulfanylacetyl)amino]acetic acid
CID 119206349
N-methyl-N-phenacylacetamide
CID 15482185
2-[benzyl(phenacyl)amino]-1-phenylethanone;hydrobromide
CID 14149400
methane;1-phenylpropan-1-one
CID 67638055
1-phenylpropan-1-one;zirconium
CID 173295106

Frequently Asked Questions

What is the IUPAC name of ethyl(phenacyl)carbamic acid?
The IUPAC name of ethyl(phenacyl)carbamic acid (CID 70573901) is ethyl(phenacyl)carbamic acid.
What is the SMILES notation for ethyl(phenacyl)carbamic acid?
The canonical SMILES for ethyl(phenacyl)carbamic acid is CCN(CC(=O)c1ccccc1)C(=O)O.
What is the InChIKey of ethyl(phenacyl)carbamic acid?
The InChIKey is UAVHCYOCPTZHSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO3/c1-2-12(11(14)15)8-10(13)9-6-4-3-5-7-9/h3-7H,2,8H2,1H3,(H,14,15).
What are the key properties of ethyl(phenacyl)carbamic acid?
ethyl(phenacyl)carbamic acid has a molecular weight of 207.23 g/mol, XLogP of 1.87, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl(phenacyl)carbamic acid is sourced from PubChem (CID 70573901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).