(Z)-3-[3-amino-4-(3-methylbutoxy)phenyl]-N-cyclopentylprop-2-enamide

C19H28N2O2 — CID 94759664

IUPAC(Z)-3-[3-amino-4-(3-methylbutoxy)phenyl]-N-cyclopentylprop-2-enamide
SMILESCC(C)CCOc1ccc(/C=C\C(=O)NC2CCCC2)cc1N
InChIInChI=1S/C19H28N2O2/c1-14(2)11-12-23-18-9-7-15(13-17(18)20)8-10-19(22)21-16-5-3-4-6-16/h7-10,13-14,16H,3-6,11-12,20H2,1-2H3,(H,21,22)/b10-8-
InChIKeyKTDVYKXAAXUVKG-NTMALXAHSA-N
MW316.44 g/mol
LogP3.77
Rot. Bonds7

About (Z)-3-[3-amino-4-(3-methylbutoxy)phenyl]-N-cyclopentylprop-2-enamide

(Z)-3-[3-amino-4-(3-methylbutoxy)phenyl]-N-cyclopentylprop-2-enamide (PubChem CID 94759664) has the molecular formula C19H28N2O2 and a molecular weight of 316.44 g/mol. Its IUPAC name is (Z)-3-[3-amino-4-(3-methylbutoxy)phenyl]-N-cyclopentylprop-2-enamide.

Molecular Properties

Compound Name(Z)-3-[3-amino-4-(3-methylbutoxy)phenyl]-N-cyclopentylprop-2-enamide
PubChem CID94759664
Molecular FormulaC19H28N2O2
Molecular Weight316.44 g/mol
Exact Mass316.22
IUPAC Name(Z)-3-[3-amino-4-(3-methylbutoxy)phenyl]-N-cyclopentylprop-2-enamide
SMILESCC(C)CCOc1ccc(/C=C\C(=O)NC2CCCC2)cc1N
InChIInChI=1S/C19H28N2O2/c1-14(2)11-12-23-18-9-7-15(13-17(18)20)8-10-19(22)21-16-5-3-4-6-16/h7-10,13-14,16H,3-6,11-12,20H2,1-2H3,(H,21,22)/b10-8-
InChIKeyKTDVYKXAAXUVKG-NTMALXAHSA-N
XLogP3.77
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.44
LogP ≤ 53.77
H-Bond Donors ≤ 52
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)-N-cyclohexyl-3-[3-methoxy-4-(3-methylbutoxy)phenyl]prop-2-enamide
CID 19201331
(E)-3-(3-amino-4-methoxyphenyl)-N-cycloheptylprop-2-enamide
CID 39390754
(Z)-3-[3-amino-4-(3-methylbutoxy)phenyl]-N-butylprop-2-enamide
CID 82153003
(Z)-3-[3-amino-4-(3-methylbutoxy)phenyl]-N-(3-hydroxypropyl)prop-2-enamide
CID 94759660
(Z)-3-[3-amino-4-(3-methylbutoxy)phenyl]-N-[2-(dimethylamino)ethyl]prop-2-enamide
CID 94759668
(E)-N-cyclododecyl-3-(4-ethoxy-3-methoxyphenyl)prop-2-enamide
CID 19171796
3-amino-4-(3-methylbutoxy)benzaldehyde
CID 82057087
3-(3-bromo-4-methoxyphenyl)-N-cycloheptylprop-2-enamide
CID 4108071
(E)-N-cyclooctyl-3-(4-propan-2-ylphenyl)prop-2-enamide
CID 6267818
(Z)-3-(3-amino-4-propoxyphenyl)-N-butan-2-ylprop-2-enamide
CID 82152945
(E)-N-tert-butyl-3-[3-methoxy-4-(3-methylbutoxy)phenyl]prop-2-enamide
CID 19201281
3-[4-(2-chloroethoxy)-3-methoxyphenyl]-N-(4-methylcyclohexyl)prop-2-enamide
CID 54496870

Frequently Asked Questions

What is the IUPAC name of (Z)-3-[3-amino-4-(3-methylbutoxy)phenyl]-N-cyclopentylprop-2-enamide?
The IUPAC name of (Z)-3-[3-amino-4-(3-methylbutoxy)phenyl]-N-cyclopentylprop-2-enamide (CID 94759664) is (Z)-3-[3-amino-4-(3-methylbutoxy)phenyl]-N-cyclopentylprop-2-enamide.
What is the SMILES notation for (Z)-3-[3-amino-4-(3-methylbutoxy)phenyl]-N-cyclopentylprop-2-enamide?
The canonical SMILES for (Z)-3-[3-amino-4-(3-methylbutoxy)phenyl]-N-cyclopentylprop-2-enamide is CC(C)CCOc1ccc(/C=C\C(=O)NC2CCCC2)cc1N.
What is the InChIKey of (Z)-3-[3-amino-4-(3-methylbutoxy)phenyl]-N-cyclopentylprop-2-enamide?
The InChIKey is KTDVYKXAAXUVKG-NTMALXAHSA-N. The full InChI is InChI=1S/C19H28N2O2/c1-14(2)11-12-23-18-9-7-15(13-17(18)20)8-10-19(22)21-16-5-3-4-6-16/h7-10,13-14,16H,3-6,11-12,20H2,1-2H3,(H,21,22)/b10-8-.
What are the key properties of (Z)-3-[3-amino-4-(3-methylbutoxy)phenyl]-N-cyclopentylprop-2-enamide?
(Z)-3-[3-amino-4-(3-methylbutoxy)phenyl]-N-cyclopentylprop-2-enamide has a molecular weight of 316.44 g/mol, XLogP of 3.77, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-[3-amino-4-(3-methylbutoxy)phenyl]-N-cyclopentylprop-2-enamide is sourced from PubChem (CID 94759664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).