3-[4-(dimethylamino)phenyl]-N-propylprop-2-enamide

C14H20N2O — CID 73010677

IUPAC3-[4-(dimethylamino)phenyl]-N-propylprop-2-enamide
SMILESCCCNC(=O)C=Cc1ccc(N(C)C)cc1
InChIInChI=1S/C14H20N2O/c1-4-11-15-14(17)10-7-12-5-8-13(9-6-12)16(2)3/h5-10H,4,11H2,1-3H3,(H,15,17)
InChIKeyOEUMNWZLLCBBRX-UHFFFAOYSA-N
MW232.33 g/mol
LogP2.29
Rot. Bonds5

About 3-[4-(dimethylamino)phenyl]-N-propylprop-2-enamide

3-[4-(dimethylamino)phenyl]-N-propylprop-2-enamide (PubChem CID 73010677) has the molecular formula C14H20N2O and a molecular weight of 232.33 g/mol. Its IUPAC name is 3-[4-(dimethylamino)phenyl]-N-propylprop-2-enamide.

Molecular Properties

Compound Name3-[4-(dimethylamino)phenyl]-N-propylprop-2-enamide
PubChem CID73010677
Molecular FormulaC14H20N2O
Molecular Weight232.33 g/mol
Exact Mass232.16
IUPAC Name3-[4-(dimethylamino)phenyl]-N-propylprop-2-enamide
SMILESCCCNC(=O)C=Cc1ccc(N(C)C)cc1
InChIInChI=1S/C14H20N2O/c1-4-11-15-14(17)10-7-12-5-8-13(9-6-12)16(2)3/h5-10H,4,11H2,1-3H3,(H,15,17)
InChIKeyOEUMNWZLLCBBRX-UHFFFAOYSA-N
XLogP2.29
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.33
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_B(251)', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(Z)-3-[4-(dimethylamino)phenyl]-2-(3-phenylprop-2-enoylamino)-N-propylprop-2-enamide
CID 155277948
(E)-3-[4-(dimethylamino)phenyl]-N-hydroxyprop-2-enamide
CID 11956153
(E)-3-(4-propan-2-ylphenyl)-N-propylprop-2-enamide
CID 6159715
3-[[(E)-3-[4-(dimethylamino)phenyl]prop-2-enoyl]amino]-2,2-dimethylpropanoic acid
CID 115427323
2-[[3-[4-(dimethylamino)phenyl]prop-2-enoylamino]methyl]butanoic acid
CID 77061287
(E)-N-[(2R)-butan-2-yl]-3-[4-(dimethylamino)phenyl]prop-2-enamide
CID 39399219
(E)-3-(4-nitrophenyl)-N-propylprop-2-enamide
CID 6259038
(E)-N-[(2S)-2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-3-[4-(dimethylamino)phenyl]prop-2-enamide
CID 39962305
N-butyl-3-(4-hydroxyphenyl)prop-2-enamide
CID 56978455
(E)-3-(4-methylphenyl)-N-[2-[[(E)-3-(4-methylphenyl)prop-2-enoyl]amino]ethyl]prop-2-enamide
CID 2180886
(E)-3-(3-amino-4-fluorophenyl)-N-propylprop-2-enamide
CID 39245266
3-(4-methylphenyl)-N-pentylprop-2-enamide
CID 3568321

Frequently Asked Questions

What is the IUPAC name of 3-[4-(dimethylamino)phenyl]-N-propylprop-2-enamide?
The IUPAC name of 3-[4-(dimethylamino)phenyl]-N-propylprop-2-enamide (CID 73010677) is 3-[4-(dimethylamino)phenyl]-N-propylprop-2-enamide.
What is the SMILES notation for 3-[4-(dimethylamino)phenyl]-N-propylprop-2-enamide?
The canonical SMILES for 3-[4-(dimethylamino)phenyl]-N-propylprop-2-enamide is CCCNC(=O)C=Cc1ccc(N(C)C)cc1.
What is the InChIKey of 3-[4-(dimethylamino)phenyl]-N-propylprop-2-enamide?
The InChIKey is OEUMNWZLLCBBRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O/c1-4-11-15-14(17)10-7-12-5-8-13(9-6-12)16(2)3/h5-10H,4,11H2,1-3H3,(H,15,17).
What are the key properties of 3-[4-(dimethylamino)phenyl]-N-propylprop-2-enamide?
3-[4-(dimethylamino)phenyl]-N-propylprop-2-enamide has a molecular weight of 232.33 g/mol, XLogP of 2.29, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(dimethylamino)phenyl]-N-propylprop-2-enamide is sourced from PubChem (CID 73010677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).