(Z)-3-(3-amino-4-prop-2-enoxyphenyl)-N-butyl-N-methylprop-2-enamide

C17H24N2O2 — CID 82153524

IUPAC(Z)-3-(3-amino-4-prop-2-enoxyphenyl)-N-butyl-N-methylprop-2-enamide
SMILESC=CCOc1ccc(/C=C\C(=O)N(C)CCCC)cc1N
InChIInChI=1S/C17H24N2O2/c1-4-6-11-19(3)17(20)10-8-14-7-9-16(15(18)13-14)21-12-5-2/h5,7-10,13H,2,4,6,11-12,18H2,1,3H3/b10-8-
InChIKeyVDKPHEDHLYPWFI-NTMALXAHSA-N
MW288.39 g/mol
LogP3.11
Rot. Bonds8

About (Z)-3-(3-amino-4-prop-2-enoxyphenyl)-N-butyl-N-methylprop-2-enamide

(Z)-3-(3-amino-4-prop-2-enoxyphenyl)-N-butyl-N-methylprop-2-enamide (PubChem CID 82153524) has the molecular formula C17H24N2O2 and a molecular weight of 288.39 g/mol. Its IUPAC name is (Z)-3-(3-amino-4-prop-2-enoxyphenyl)-N-butyl-N-methylprop-2-enamide.

Molecular Properties

Compound Name(Z)-3-(3-amino-4-prop-2-enoxyphenyl)-N-butyl-N-methylprop-2-enamide
PubChem CID82153524
Molecular FormulaC17H24N2O2
Molecular Weight288.39 g/mol
Exact Mass288.18
IUPAC Name(Z)-3-(3-amino-4-prop-2-enoxyphenyl)-N-butyl-N-methylprop-2-enamide
SMILESC=CCOc1ccc(/C=C\C(=O)N(C)CCCC)cc1N
InChIInChI=1S/C17H24N2O2/c1-4-6-11-19(3)17(20)10-8-14-7-9-16(15(18)13-14)21-12-5-2/h5,7-10,13H,2,4,6,11-12,18H2,1,3H3/b10-8-
InChIKeyVDKPHEDHLYPWFI-NTMALXAHSA-N
XLogP3.11
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(Z)-3-(3-amino-4-butoxyphenyl)-N-butyl-N-ethylprop-2-enamide
CID 94760106
(Z)-3-(3-amino-4-prop-2-enoxyphenyl)-N-[3-(dimethylamino)propyl]prop-2-enamide
CID 82153029
(Z)-3-(3-amino-4-propoxyphenyl)-N,N-dimethylprop-2-enamide
CID 82153493
(Z)-3-(3-amino-4-butoxyphenyl)prop-2-enoic acid
CID 82152619
(Z)-3-(3-amino-4-propan-2-yloxyphenyl)-N-(2-hydroxyethyl)-N-methylprop-2-enamide
CID 82153464
(Z)-3-(3-amino-4-ethoxyphenyl)-N-methyl-N-phenylprop-2-enamide
CID 82153763
(E)-3-(3-aminophenyl)-N-[3-(dimethylamino)propyl]-N-methylprop-2-enamide
CID 115344167
(E)-3-(3-amino-4-methoxyphenyl)-N,N-dimethylprop-2-enamide
CID 39244350
(Z)-3-(3-amino-4-ethoxyphenyl)prop-2-enoic acid
CID 82152615
(Z)-3-[3-amino-4-[2-(dimethylamino)ethoxy]phenyl]-N-propylprop-2-enamide
CID 82153048
1-(3-amino-4-prop-2-enoxyphenyl)propan-1-one
CID 82064223
(Z)-3-(3-amino-4-prop-2-enoxyphenyl)-N-(2-chlorophenyl)prop-2-enamide
CID 82153857

Frequently Asked Questions

What is the IUPAC name of (Z)-3-(3-amino-4-prop-2-enoxyphenyl)-N-butyl-N-methylprop-2-enamide?
The IUPAC name of (Z)-3-(3-amino-4-prop-2-enoxyphenyl)-N-butyl-N-methylprop-2-enamide (CID 82153524) is (Z)-3-(3-amino-4-prop-2-enoxyphenyl)-N-butyl-N-methylprop-2-enamide.
What is the SMILES notation for (Z)-3-(3-amino-4-prop-2-enoxyphenyl)-N-butyl-N-methylprop-2-enamide?
The canonical SMILES for (Z)-3-(3-amino-4-prop-2-enoxyphenyl)-N-butyl-N-methylprop-2-enamide is C=CCOc1ccc(/C=C\C(=O)N(C)CCCC)cc1N.
What is the InChIKey of (Z)-3-(3-amino-4-prop-2-enoxyphenyl)-N-butyl-N-methylprop-2-enamide?
The InChIKey is VDKPHEDHLYPWFI-NTMALXAHSA-N. The full InChI is InChI=1S/C17H24N2O2/c1-4-6-11-19(3)17(20)10-8-14-7-9-16(15(18)13-14)21-12-5-2/h5,7-10,13H,2,4,6,11-12,18H2,1,3H3/b10-8-.
What are the key properties of (Z)-3-(3-amino-4-prop-2-enoxyphenyl)-N-butyl-N-methylprop-2-enamide?
(Z)-3-(3-amino-4-prop-2-enoxyphenyl)-N-butyl-N-methylprop-2-enamide has a molecular weight of 288.39 g/mol, XLogP of 3.11, 8 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-prop-2-enoxyphenyl)-N-butyl-N-methylprop-2-enamide is sourced from PubChem (CID 82153524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).