N-[2-(4-methoxy-N-methylanilino)ethyl]-N-methylprop-2-enamide

C14H20N2O2 — CID 146106049

IUPACN-[2-(4-methoxy-N-methylanilino)ethyl]-N-methylprop-2-enamide
SMILESC=CC(=O)N(C)CCN(C)c1ccc(OC)cc1
InChIInChI=1S/C14H20N2O2/c1-5-14(17)16(3)11-10-15(2)12-6-8-13(18-4)9-7-12/h5-9H,1,10-11H2,2-4H3
InChIKeyYYTDITDVRCSNFP-UHFFFAOYSA-N
MW248.33 g/mol
LogP1.78
Rot. Bonds6

About N-[2-(4-methoxy-N-methylanilino)ethyl]-N-methylprop-2-enamide

N-[2-(4-methoxy-N-methylanilino)ethyl]-N-methylprop-2-enamide (PubChem CID 146106049) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is N-[2-(4-methoxy-N-methylanilino)ethyl]-N-methylprop-2-enamide.

Molecular Properties

Compound NameN-[2-(4-methoxy-N-methylanilino)ethyl]-N-methylprop-2-enamide
PubChem CID146106049
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC NameN-[2-(4-methoxy-N-methylanilino)ethyl]-N-methylprop-2-enamide
SMILESC=CC(=O)N(C)CCN(C)c1ccc(OC)cc1
InChIInChI=1S/C14H20N2O2/c1-5-14(17)16(3)11-10-15(2)12-6-8-13(18-4)9-7-12/h5-9H,1,10-11H2,2-4H3
InChIKeyYYTDITDVRCSNFP-UHFFFAOYSA-N
XLogP1.78
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 51.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

N-(4-methoxyphenyl)-N-(3-oxopentyl)prop-2-enamide
CID 101380942
N-(4-bromophenyl)-N-(4-methoxyphenyl)prop-2-enamide
CID 177034589
6-[4-[(4-methoxyphenyl)diazenyl]-N-methylanilino]hexyl prop-2-enoate
CID 122396609
4-(4-methoxy-N-methylanilino)-2-methylbutanoic acid
CID 115220604
N-(2,2-dimethoxyethyl)-4-methoxy-N-methylaniline
CID 66224043
N-[2-(4-methoxy-N-methylanilino)ethyl]methanesulfonamide
CID 56919929
N-methyl-N-[3-[methyl(prop-2-enoyl)amino]propyl]prop-2-enamide
CID 59017028
N-ethenyl-4-methoxy-N-methylaniline
CID 142070059
N-[3-[4-(4-butoxyphenyl)phenyl]propyl]-N-methylprop-2-enamide
CID 134246358
2-(4-methoxy-N-methylanilino)prop-2-enamide
CID 175949684
N-(4-methoxyphenyl)-N-(2-methyl-3-oxo-3-phenylpropyl)prop-2-enamide
CID 101380965
2-[but-3-enyl-(4-methoxyphenyl)sulfamoyl]acetic acid
CID 89249095

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methoxy-N-methylanilino)ethyl]-N-methylprop-2-enamide?
The IUPAC name of N-[2-(4-methoxy-N-methylanilino)ethyl]-N-methylprop-2-enamide (CID 146106049) is N-[2-(4-methoxy-N-methylanilino)ethyl]-N-methylprop-2-enamide.
What is the SMILES notation for N-[2-(4-methoxy-N-methylanilino)ethyl]-N-methylprop-2-enamide?
The canonical SMILES for N-[2-(4-methoxy-N-methylanilino)ethyl]-N-methylprop-2-enamide is C=CC(=O)N(C)CCN(C)c1ccc(OC)cc1.
What is the InChIKey of N-[2-(4-methoxy-N-methylanilino)ethyl]-N-methylprop-2-enamide?
The InChIKey is YYTDITDVRCSNFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2/c1-5-14(17)16(3)11-10-15(2)12-6-8-13(18-4)9-7-12/h5-9H,1,10-11H2,2-4H3.
What are the key properties of N-[2-(4-methoxy-N-methylanilino)ethyl]-N-methylprop-2-enamide?
N-[2-(4-methoxy-N-methylanilino)ethyl]-N-methylprop-2-enamide has a molecular weight of 248.33 g/mol, XLogP of 1.78, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-methoxy-N-methylanilino)ethyl]-N-methylprop-2-enamide is sourced from PubChem (CID 146106049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).