N-[3-[3-(dimethylamino)phenyl]prop-2-enyl]acetamide

C13H18N2O — CID 169465474

IUPACN-[3-[3-(dimethylamino)phenyl]prop-2-enyl]acetamide
SMILESCC(=O)NCC=Cc1cccc(N(C)C)c1
InChIInChI=1S/C13H18N2O/c1-11(16)14-9-5-7-12-6-4-8-13(10-12)15(2)3/h4-8,10H,9H2,1-3H3,(H,14,16)
InChIKeyQAFCUUBQCHISSX-UHFFFAOYSA-N
MW218.30 g/mol
LogP1.90
Rot. Bonds4

About N-[3-[3-(dimethylamino)phenyl]prop-2-enyl]acetamide

N-[3-[3-(dimethylamino)phenyl]prop-2-enyl]acetamide (PubChem CID 169465474) has the molecular formula C13H18N2O and a molecular weight of 218.30 g/mol. Its IUPAC name is N-[3-[3-(dimethylamino)phenyl]prop-2-enyl]acetamide.

Molecular Properties

Compound NameN-[3-[3-(dimethylamino)phenyl]prop-2-enyl]acetamide
PubChem CID169465474
Molecular FormulaC13H18N2O
Molecular Weight218.30 g/mol
Exact Mass218.14
IUPAC NameN-[3-[3-(dimethylamino)phenyl]prop-2-enyl]acetamide
SMILESCC(=O)NCC=Cc1cccc(N(C)C)c1
InChIInChI=1S/C13H18N2O/c1-11(16)14-9-5-7-12-6-4-8-13(10-12)15(2)3/h4-8,10H,9H2,1-3H3,(H,14,16)
InChIKeyQAFCUUBQCHISSX-UHFFFAOYSA-N
XLogP1.90
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(3-bromoprop-1-enyl)-N,N-dimethylaniline
CID 169475509
N-[3-[3-(hydroxymethyl)phenyl]prop-2-enyl]acetamide
CID 169465046
N-[3-[3-(aminomethyl)phenyl]prop-2-enyl]acetamide
CID 169465154
N-[3-(3-trimethylsilylphenyl)prop-2-enyl]acetamide
CID 169465674
N-[3-[4-(N-phenylanilino)phenyl]prop-2-enyl]acetamide
CID 169466603
N-[3-(3-methylsulfonylphenyl)prop-2-enyl]acetamide
CID 169465681
N-[3-[3-(2-hydroxyethyl)phenyl]prop-2-enyl]acetamide
CID 169465370
N-[3-[3-(carbamoylamino)phenyl]prop-2-enyl]acetamide
CID 169465819
(E)-3-[3-(dimethylamino)phenyl]prop-2-enoic acid
CID 18680519
N-[3-[2-(dimethylamino)pyrimidin-5-yl]prop-2-enyl]acetamide
CID 169465561
N-[3-(3-isothiocyanatophenyl)prop-2-enyl]acetamide
CID 169465438
N-[3-(3,4-dimethylphenyl)prop-2-enyl]acetamide
CID 169464973

Frequently Asked Questions

What is the IUPAC name of N-[3-[3-(dimethylamino)phenyl]prop-2-enyl]acetamide?
The IUPAC name of N-[3-[3-(dimethylamino)phenyl]prop-2-enyl]acetamide (CID 169465474) is N-[3-[3-(dimethylamino)phenyl]prop-2-enyl]acetamide.
What is the SMILES notation for N-[3-[3-(dimethylamino)phenyl]prop-2-enyl]acetamide?
The canonical SMILES for N-[3-[3-(dimethylamino)phenyl]prop-2-enyl]acetamide is CC(=O)NCC=Cc1cccc(N(C)C)c1.
What is the InChIKey of N-[3-[3-(dimethylamino)phenyl]prop-2-enyl]acetamide?
The InChIKey is QAFCUUBQCHISSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O/c1-11(16)14-9-5-7-12-6-4-8-13(10-12)15(2)3/h4-8,10H,9H2,1-3H3,(H,14,16).
What are the key properties of N-[3-[3-(dimethylamino)phenyl]prop-2-enyl]acetamide?
N-[3-[3-(dimethylamino)phenyl]prop-2-enyl]acetamide has a molecular weight of 218.30 g/mol, XLogP of 1.90, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[3-(dimethylamino)phenyl]prop-2-enyl]acetamide is sourced from PubChem (CID 169465474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).