(Z)-3-(3-amino-4-propoxyphenyl)-N,N-dimethylprop-2-enamide

C14H20N2O2 — CID 82153493

IUPAC(Z)-3-(3-amino-4-propoxyphenyl)-N,N-dimethylprop-2-enamide
SMILESCCCOc1ccc(/C=C\C(=O)N(C)C)cc1N
InChIInChI=1S/C14H20N2O2/c1-4-9-18-13-7-5-11(10-12(13)15)6-8-14(17)16(2)3/h5-8,10H,4,9,15H2,1-3H3/b8-6-
InChIKeyLJNCRFKVNNTHQU-VURMDHGXSA-N
MW248.33 g/mol
LogP2.16
Rot. Bonds5

About (Z)-3-(3-amino-4-propoxyphenyl)-N,N-dimethylprop-2-enamide

(Z)-3-(3-amino-4-propoxyphenyl)-N,N-dimethylprop-2-enamide (PubChem CID 82153493) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is (Z)-3-(3-amino-4-propoxyphenyl)-N,N-dimethylprop-2-enamide.

Molecular Properties

Compound Name(Z)-3-(3-amino-4-propoxyphenyl)-N,N-dimethylprop-2-enamide
PubChem CID82153493
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC Name(Z)-3-(3-amino-4-propoxyphenyl)-N,N-dimethylprop-2-enamide
SMILESCCCOc1ccc(/C=C\C(=O)N(C)C)cc1N
InChIInChI=1S/C14H20N2O2/c1-4-9-18-13-7-5-11(10-12(13)15)6-8-14(17)16(2)3/h5-8,10H,4,9,15H2,1-3H3/b8-6-
InChIKeyLJNCRFKVNNTHQU-VURMDHGXSA-N
XLogP2.16
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 52.16
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

(E)-3-(3-amino-4-methoxyphenyl)-N,N-dimethylprop-2-enamide
CID 39244350
(Z)-3-[3-amino-4-[(4-fluorophenyl)methoxy]phenyl]-N,N-dimethylprop-2-enamide
CID 94760146
(Z)-3-(3-amino-4-butoxyphenyl)-N-butyl-N-ethylprop-2-enamide
CID 94760106
(Z)-3-(3-amino-4-propoxyphenyl)-N-butan-2-ylprop-2-enamide
CID 82152945
(Z)-3-(3-amino-4-butoxyphenyl)prop-2-enoic acid
CID 82152619
(Z)-3-(3-amino-4-propoxyphenyl)-N-pentylprop-2-enamide
CID 82152955
(Z)-3-(3-amino-4-ethoxyphenyl)-N-methyl-N-phenylprop-2-enamide
CID 82153763
(Z)-3-(3-amino-4-prop-2-enoxyphenyl)-N-butyl-N-methylprop-2-enamide
CID 82153524
(Z)-3-[3-amino-4-[2-(dimethylamino)ethoxy]phenyl]-N-propylprop-2-enamide
CID 82153048
(Z)-3-(3-amino-4-propoxyphenyl)-N-[2-(2-hydroxyethoxy)ethyl]prop-2-enamide
CID 94759629
(Z)-3-(3-amino-4-ethoxyphenyl)prop-2-enoic acid
CID 82152615
(Z)-3-(3-amino-4-propoxyphenyl)-N-(pyridin-4-ylmethyl)prop-2-enamide
CID 94759624

Frequently Asked Questions

What is the IUPAC name of (Z)-3-(3-amino-4-propoxyphenyl)-N,N-dimethylprop-2-enamide?
The IUPAC name of (Z)-3-(3-amino-4-propoxyphenyl)-N,N-dimethylprop-2-enamide (CID 82153493) is (Z)-3-(3-amino-4-propoxyphenyl)-N,N-dimethylprop-2-enamide.
What is the SMILES notation for (Z)-3-(3-amino-4-propoxyphenyl)-N,N-dimethylprop-2-enamide?
The canonical SMILES for (Z)-3-(3-amino-4-propoxyphenyl)-N,N-dimethylprop-2-enamide is CCCOc1ccc(/C=C\C(=O)N(C)C)cc1N.
What is the InChIKey of (Z)-3-(3-amino-4-propoxyphenyl)-N,N-dimethylprop-2-enamide?
The InChIKey is LJNCRFKVNNTHQU-VURMDHGXSA-N. The full InChI is InChI=1S/C14H20N2O2/c1-4-9-18-13-7-5-11(10-12(13)15)6-8-14(17)16(2)3/h5-8,10H,4,9,15H2,1-3H3/b8-6-.
What are the key properties of (Z)-3-(3-amino-4-propoxyphenyl)-N,N-dimethylprop-2-enamide?
(Z)-3-(3-amino-4-propoxyphenyl)-N,N-dimethylprop-2-enamide has a molecular weight of 248.33 g/mol, XLogP of 2.16, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-(3-amino-4-propoxyphenyl)-N,N-dimethylprop-2-enamide is sourced from PubChem (CID 82153493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).