(E)-3-(3-amino-4-methoxyphenyl)-N,N-dimethylprop-2-enamide

C12H16N2O2 — CID 39244350

IUPAC(E)-3-(3-amino-4-methoxyphenyl)-N,N-dimethylprop-2-enamide
SMILESCOc1ccc(/C=C/C(=O)N(C)C)cc1N
InChIInChI=1S/C12H16N2O2/c1-14(2)12(15)7-5-9-4-6-11(16-3)10(13)8-9/h4-8H,13H2,1-3H3/b7-5+
InChIKeyFEPBHAKECUTUKR-FNORWQNLSA-N
MW220.27 g/mol
LogP1.38
Rot. Bonds3

About (E)-3-(3-amino-4-methoxyphenyl)-N,N-dimethylprop-2-enamide

(E)-3-(3-amino-4-methoxyphenyl)-N,N-dimethylprop-2-enamide (PubChem CID 39244350) has the molecular formula C12H16N2O2 and a molecular weight of 220.27 g/mol. Its IUPAC name is (E)-3-(3-amino-4-methoxyphenyl)-N,N-dimethylprop-2-enamide.

Molecular Properties

Compound Name(E)-3-(3-amino-4-methoxyphenyl)-N,N-dimethylprop-2-enamide
PubChem CID39244350
Molecular FormulaC12H16N2O2
Molecular Weight220.27 g/mol
Exact Mass220.12
IUPAC Name(E)-3-(3-amino-4-methoxyphenyl)-N,N-dimethylprop-2-enamide
SMILESCOc1ccc(/C=C/C(=O)N(C)C)cc1N
InChIInChI=1S/C12H16N2O2/c1-14(2)12(15)7-5-9-4-6-11(16-3)10(13)8-9/h4-8H,13H2,1-3H3/b7-5+
InChIKeyFEPBHAKECUTUKR-FNORWQNLSA-N
XLogP1.38
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.27
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(Z)-3-(3-amino-4-propoxyphenyl)-N,N-dimethylprop-2-enamide
CID 82153493
(E)-3-(3,4-dimethoxyphenyl)-N-methoxy-N-methylprop-2-enamide
CID 22347490
tert-butyl (E)-3-(3-amino-4-methoxyphenyl)prop-2-enoate
CID 42640186
(Z)-3-[3-amino-4-[(4-fluorophenyl)methoxy]phenyl]-N,N-dimethylprop-2-enamide
CID 94760146
(E)-3-(6-methoxynaphthalen-2-yl)-N,N-dimethylprop-2-enamide
CID 39001200
2-methoxy-5-[(Z)-prop-1-enyl]aniline
CID 45052602
2-methoxy-5-prop-1-enylaniline
CID 853489
(E)-3-(3-amino-4-methoxyphenyl)-N-(2-methoxyphenyl)prop-2-enamide
CID 39419191
(Z)-4-(3-amino-4-methoxyphenyl)-1-[2-(3-amino-4-methoxyphenyl)ethenylsulfonyl]but-3-en-2-one
CID 173037235
3-[4-methoxy-3-(oxolan-2-yloxy)phenyl]-N,N-dimethylprop-2-enamide
CID 68712752
3-(3-ethoxy-4-methoxyphenyl)-N-methoxy-N-methylprop-2-enamide
CID 102603194
3-(3-amino-4-methoxyphenyl)prop-2-en-1-ol
CID 66664968

Frequently Asked Questions

What is the IUPAC name of (E)-3-(3-amino-4-methoxyphenyl)-N,N-dimethylprop-2-enamide?
The IUPAC name of (E)-3-(3-amino-4-methoxyphenyl)-N,N-dimethylprop-2-enamide (CID 39244350) is (E)-3-(3-amino-4-methoxyphenyl)-N,N-dimethylprop-2-enamide.
What is the SMILES notation for (E)-3-(3-amino-4-methoxyphenyl)-N,N-dimethylprop-2-enamide?
The canonical SMILES for (E)-3-(3-amino-4-methoxyphenyl)-N,N-dimethylprop-2-enamide is COc1ccc(/C=C/C(=O)N(C)C)cc1N.
What is the InChIKey of (E)-3-(3-amino-4-methoxyphenyl)-N,N-dimethylprop-2-enamide?
The InChIKey is FEPBHAKECUTUKR-FNORWQNLSA-N. The full InChI is InChI=1S/C12H16N2O2/c1-14(2)12(15)7-5-9-4-6-11(16-3)10(13)8-9/h4-8H,13H2,1-3H3/b7-5+.
What are the key properties of (E)-3-(3-amino-4-methoxyphenyl)-N,N-dimethylprop-2-enamide?
(E)-3-(3-amino-4-methoxyphenyl)-N,N-dimethylprop-2-enamide has a molecular weight of 220.27 g/mol, XLogP of 1.38, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(3-amino-4-methoxyphenyl)-N,N-dimethylprop-2-enamide is sourced from PubChem (CID 39244350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).