N,N-Diethyl-2-phenylacetamide

C12H17NO — CID 17076

IUPACN,N-diethyl-2-phenylacetamide
SMILESCCN(CC)C(=O)CC1=CC=CC=C1
InChIInChI=1S/C12H17NO/c1-3-13(4-2)12(14)10-11-8-6-5-7-9-11/h5-9H,3-4,10H2,1-2H3
InChIKeyUXDAWVUDZLBBAM-UHFFFAOYSA-N
MW191.27 g/mol
LogP2.10
Rot. Bonds4

About N,N-Diethyl-2-phenylacetamide

N,N-Diethyl-2-phenylacetamide (PubChem CID 17076) has the molecular formula C12H17NO and a molecular weight of 191.27 g/mol. Its IUPAC name is N,N-diethyl-2-phenylacetamide.

Molecular Properties

Compound NameN,N-Diethyl-2-phenylacetamide
PubChem CID17076
Molecular FormulaC12H17NO
Molecular Weight191.27 g/mol
Exact Mass191.13
IUPAC NameN,N-diethyl-2-phenylacetamide
SMILESCCN(CC)C(=O)CC1=CC=CC=C1
InChIInChI=1S/C12H17NO/c1-3-13(4-2)12(14)10-11-8-6-5-7-9-11/h5-9H,3-4,10H2,1-2H3
InChIKeyUXDAWVUDZLBBAM-UHFFFAOYSA-N
XLogP2.10
TPSA20.30 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity169

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.27
LogP ≤ 52.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N,N-Diethyl-2-phenylacetamide?
The IUPAC name of N,N-Diethyl-2-phenylacetamide (CID 17076) is N,N-diethyl-2-phenylacetamide.
What is the SMILES notation for N,N-Diethyl-2-phenylacetamide?
The canonical SMILES for N,N-Diethyl-2-phenylacetamide is CCN(CC)C(=O)CC1=CC=CC=C1.
What is the InChIKey of N,N-Diethyl-2-phenylacetamide?
The InChIKey is UXDAWVUDZLBBAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO/c1-3-13(4-2)12(14)10-11-8-6-5-7-9-11/h5-9H,3-4,10H2,1-2H3.
What are the key properties of N,N-Diethyl-2-phenylacetamide?
N,N-Diethyl-2-phenylacetamide has a molecular weight of 191.27 g/mol, XLogP of 2.10, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-Diethyl-2-phenylacetamide is sourced from PubChem (CID 17076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).