N-[3-[(3E)-4-(dimethylamino)buta-1,3-dien-2-yl]phenyl]-N-methylacetamide

C15H20N2O — CID 142044368

IUPACN-[3-[(3E)-4-(dimethylamino)buta-1,3-dien-2-yl]phenyl]-N-methylacetamide
SMILESC=C(/C=C/N(C)C)c1cccc(N(C)C(C)=O)c1
InChIInChI=1S/C15H20N2O/c1-12(9-10-16(3)4)14-7-6-8-15(11-14)17(5)13(2)18/h6-11H,1H2,2-5H3/b10-9+
InChIKeyAUPPOTHAQANYSA-MDZDMXLPSA-N
MW244.34 g/mol
LogP2.76
Rot. Bonds4

About N-[3-[(3E)-4-(dimethylamino)buta-1,3-dien-2-yl]phenyl]-N-methylacetamide

N-[3-[(3E)-4-(dimethylamino)buta-1,3-dien-2-yl]phenyl]-N-methylacetamide (PubChem CID 142044368) has the molecular formula C15H20N2O and a molecular weight of 244.34 g/mol. Its IUPAC name is N-[3-[(3E)-4-(dimethylamino)buta-1,3-dien-2-yl]phenyl]-N-methylacetamide.

Molecular Properties

Compound NameN-[3-[(3E)-4-(dimethylamino)buta-1,3-dien-2-yl]phenyl]-N-methylacetamide
PubChem CID142044368
Molecular FormulaC15H20N2O
Molecular Weight244.34 g/mol
Exact Mass244.16
IUPAC NameN-[3-[(3E)-4-(dimethylamino)buta-1,3-dien-2-yl]phenyl]-N-methylacetamide
SMILESC=C(/C=C/N(C)C)c1cccc(N(C)C(C)=O)c1
InChIInChI=1S/C15H20N2O/c1-12(9-10-16(3)4)14-7-6-8-15(11-14)17(5)13(2)18/h6-11H,1H2,2-5H3/b10-9+
InChIKeyAUPPOTHAQANYSA-MDZDMXLPSA-N
XLogP2.76
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.34
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[3-[3-(dimethylamino)prop-2-enoyl]phenyl]-N-(trideuteriomethyl)acetamide
CID 91422730
N-[3-[(E)-C-[(E)-2-(dimethylamino)ethenyl]-N-(3-methyl-1,2,4-triazol-4-yl)carbonimidoyl]phenyl]-N-methylacetamide
CID 51050299
N-[3-(3-ethoxyprop-2-enoyl)phenyl]-N-methylacetamide
CID 72805670
3-[acetyl(methyl)amino]benzenesulfinate
CID 57245902
3-(dimethylamino)-1-(3-methylphenyl)prop-2-en-1-one
CID 7017237
(E)-3-(dimethylamino)-1-(3-methylphenyl)prop-2-en-1-one
CID 19807213
N-[3-(aminomethyl)phenyl]-N-methylacetamide
CID 2760942
3-(dimethylamino)-1-[3-(methylamino)phenyl]prop-2-en-1-one
CID 67198189
N-[3-[3-(dimethylamino)prop-2-enoyl]phenyl]-N-ethylethanesulfonamide
CID 67195903
1-(3-bromophenyl)-3-(dimethylamino)prop-2-en-1-one
CID 2806204
N,N'-bis[3-[acetyl(methyl)amino]phenyl]pentanediamide
CID 46762249
N-[3-[benzoyl(methyl)amino]phenyl]-N-methylbenzamide
CID 59642334

Frequently Asked Questions

What is the IUPAC name of N-[3-[(3E)-4-(dimethylamino)buta-1,3-dien-2-yl]phenyl]-N-methylacetamide?
The IUPAC name of N-[3-[(3E)-4-(dimethylamino)buta-1,3-dien-2-yl]phenyl]-N-methylacetamide (CID 142044368) is N-[3-[(3E)-4-(dimethylamino)buta-1,3-dien-2-yl]phenyl]-N-methylacetamide.
What is the SMILES notation for N-[3-[(3E)-4-(dimethylamino)buta-1,3-dien-2-yl]phenyl]-N-methylacetamide?
The canonical SMILES for N-[3-[(3E)-4-(dimethylamino)buta-1,3-dien-2-yl]phenyl]-N-methylacetamide is C=C(/C=C/N(C)C)c1cccc(N(C)C(C)=O)c1.
What is the InChIKey of N-[3-[(3E)-4-(dimethylamino)buta-1,3-dien-2-yl]phenyl]-N-methylacetamide?
The InChIKey is AUPPOTHAQANYSA-MDZDMXLPSA-N. The full InChI is InChI=1S/C15H20N2O/c1-12(9-10-16(3)4)14-7-6-8-15(11-14)17(5)13(2)18/h6-11H,1H2,2-5H3/b10-9+.
What are the key properties of N-[3-[(3E)-4-(dimethylamino)buta-1,3-dien-2-yl]phenyl]-N-methylacetamide?
N-[3-[(3E)-4-(dimethylamino)buta-1,3-dien-2-yl]phenyl]-N-methylacetamide has a molecular weight of 244.34 g/mol, XLogP of 2.76, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(3E)-4-(dimethylamino)buta-1,3-dien-2-yl]phenyl]-N-methylacetamide is sourced from PubChem (CID 142044368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).