N,N-diethyl-3-(4-methoxy-3-nitrophenyl)-2-methylprop-2-enamide

C15H20N2O4 — CID 78015760

IUPACN,N-diethyl-3-(4-methoxy-3-nitrophenyl)-2-methylprop-2-enamide
SMILESCCN(CC)C(=O)C(C)=Cc1ccc(OC)c([N+](=O)[O-])c1
InChIInChI=1S/C15H20N2O4/c1-5-16(6-2)15(18)11(3)9-12-7-8-14(21-4)13(10-12)17(19)20/h7-10H,5-6H2,1-4H3
InChIKeyGOISHJOPKKMANK-UHFFFAOYSA-N
MW292.34 g/mol
LogP2.88
Rot. Bonds6

About N,N-diethyl-3-(4-methoxy-3-nitrophenyl)-2-methylprop-2-enamide

N,N-diethyl-3-(4-methoxy-3-nitrophenyl)-2-methylprop-2-enamide (PubChem CID 78015760) has the molecular formula C15H20N2O4 and a molecular weight of 292.34 g/mol. Its IUPAC name is N,N-diethyl-3-(4-methoxy-3-nitrophenyl)-2-methylprop-2-enamide.

Molecular Properties

Compound NameN,N-diethyl-3-(4-methoxy-3-nitrophenyl)-2-methylprop-2-enamide
PubChem CID78015760
Molecular FormulaC15H20N2O4
Molecular Weight292.34 g/mol
Exact Mass292.14
IUPAC NameN,N-diethyl-3-(4-methoxy-3-nitrophenyl)-2-methylprop-2-enamide
SMILESCCN(CC)C(=O)C(C)=Cc1ccc(OC)c([N+](=O)[O-])c1
InChIInChI=1S/C15H20N2O4/c1-5-16(6-2)15(18)11(3)9-12-7-8-14(21-4)13(10-12)17(19)20/h7-10H,5-6H2,1-4H3
InChIKeyGOISHJOPKKMANK-UHFFFAOYSA-N
XLogP2.88
TPSA72.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.34
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-imidazol-1-yl-3-(4-methoxy-3-nitrophenyl)-2-methylprop-2-en-1-one
CID 78015757
(E)-2-cyano-3-(4-methoxy-3-nitrophenyl)-N,N-dimethylprop-2-enamide
CID 1285852
(E)-3-(4-methoxy-3-nitrophenyl)prop-2-enehydrazide
CID 91684043
4-methoxy-3-nitrobenzaldehyde
CID 700608
(E)-4-(4-methoxy-3-nitrophenyl)-3-(3,4,5-trimethoxyphenyl)but-3-en-2-one
CID 53330139
4-[(Z)-2-(4-methoxy-3-nitrophenyl)ethenyl]-1,2-dimethylbenzene
CID 11000537
4-(4-methoxy-3-nitrophenyl)but-3-enenitrile
CID 170800367
(E)-1-(4-iodophenyl)-3-(4-methoxy-3-nitrophenyl)prop-2-en-1-one
CID 5287289
4-(4-methoxy-3-nitrophenyl)-N-[2-(4-methoxy-3-nitrophenyl)ethenyl]-2-oxobut-3-ene-1-sulfonamide
CID 173173903
3-methoxy-5-[(Z)-2-(4-methoxy-3-nitrophenyl)ethenyl]phenol
CID 25050820
methyl (E)-3-[4-(methoxymethoxy)-3-nitrophenyl]prop-2-enoate
CID 19801836
4-[1-cyano-2-(4-methoxy-3-nitrophenyl)ethenyl]benzoic acid
CID 2980202

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-3-(4-methoxy-3-nitrophenyl)-2-methylprop-2-enamide?
The IUPAC name of N,N-diethyl-3-(4-methoxy-3-nitrophenyl)-2-methylprop-2-enamide (CID 78015760) is N,N-diethyl-3-(4-methoxy-3-nitrophenyl)-2-methylprop-2-enamide.
What is the SMILES notation for N,N-diethyl-3-(4-methoxy-3-nitrophenyl)-2-methylprop-2-enamide?
The canonical SMILES for N,N-diethyl-3-(4-methoxy-3-nitrophenyl)-2-methylprop-2-enamide is CCN(CC)C(=O)C(C)=Cc1ccc(OC)c([N+](=O)[O-])c1.
What is the InChIKey of N,N-diethyl-3-(4-methoxy-3-nitrophenyl)-2-methylprop-2-enamide?
The InChIKey is GOISHJOPKKMANK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O4/c1-5-16(6-2)15(18)11(3)9-12-7-8-14(21-4)13(10-12)17(19)20/h7-10H,5-6H2,1-4H3.
What are the key properties of N,N-diethyl-3-(4-methoxy-3-nitrophenyl)-2-methylprop-2-enamide?
N,N-diethyl-3-(4-methoxy-3-nitrophenyl)-2-methylprop-2-enamide has a molecular weight of 292.34 g/mol, XLogP of 2.88, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-3-(4-methoxy-3-nitrophenyl)-2-methylprop-2-enamide is sourced from PubChem (CID 78015760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).