(Z)-3-[3-amino-4-[2-(dimethylamino)ethoxy]phenyl]-N-propylprop-2-enamide

C16H25N3O2 — CID 82153048

IUPAC(Z)-3-[3-amino-4-[2-(dimethylamino)ethoxy]phenyl]-N-propylprop-2-enamide
SMILESCCCNC(=O)/C=C\c1ccc(OCCN(C)C)c(N)c1
InChIInChI=1S/C16H25N3O2/c1-4-9-18-16(20)8-6-13-5-7-15(14(17)12-13)21-11-10-19(2)3/h5-8,12H,4,9-11,17H2,1-3H3,(H,18,20)/b8-6-
InChIKeyIMLSKMWBFDUNJA-VURMDHGXSA-N
MW291.40 g/mol
LogP1.75
Rot. Bonds8

About (Z)-3-[3-amino-4-[2-(dimethylamino)ethoxy]phenyl]-N-propylprop-2-enamide

(Z)-3-[3-amino-4-[2-(dimethylamino)ethoxy]phenyl]-N-propylprop-2-enamide (PubChem CID 82153048) has the molecular formula C16H25N3O2 and a molecular weight of 291.40 g/mol. Its IUPAC name is (Z)-3-[3-amino-4-[2-(dimethylamino)ethoxy]phenyl]-N-propylprop-2-enamide.

Molecular Properties

Compound Name(Z)-3-[3-amino-4-[2-(dimethylamino)ethoxy]phenyl]-N-propylprop-2-enamide
PubChem CID82153048
Molecular FormulaC16H25N3O2
Molecular Weight291.40 g/mol
Exact Mass291.19
IUPAC Name(Z)-3-[3-amino-4-[2-(dimethylamino)ethoxy]phenyl]-N-propylprop-2-enamide
SMILESCCCNC(=O)/C=C\c1ccc(OCCN(C)C)c(N)c1
InChIInChI=1S/C16H25N3O2/c1-4-9-18-16(20)8-6-13-5-7-15(14(17)12-13)21-11-10-19(2)3/h5-8,12H,4,9-11,17H2,1-3H3,(H,18,20)/b8-6-
InChIKeyIMLSKMWBFDUNJA-VURMDHGXSA-N
XLogP1.75
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.40
LogP ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-[2-(dimethylamino)ethoxy]phenyl]-N-[2-(dimethylamino)ethyl]prop-2-enamide
CID 94759712
(Z)-3-[3-amino-4-(3-methylbutoxy)phenyl]-N-[2-(dimethylamino)ethyl]prop-2-enamide
CID 94759668
(Z)-3-(3-amino-4-propoxyphenyl)-N-pentylprop-2-enamide
CID 82152955
(Z)-3-(3-amino-4-prop-2-enoxyphenyl)-N-[3-(dimethylamino)propyl]prop-2-enamide
CID 82153029
(Z)-3-(3-amino-4-propoxyphenyl)-N-[2-(2-hydroxyethoxy)ethyl]prop-2-enamide
CID 94759629
(Z)-3-(3-amino-4-propan-2-yloxyphenyl)-N-[2-(dimethylamino)ethyl]prop-2-enamide
CID 82152915
(Z)-3-[3-amino-4-(3-methylbutoxy)phenyl]-N-butylprop-2-enamide
CID 82153003
3-(3,4-diethoxyphenyl)-N-propylprop-2-enamide
CID 102603082
(E)-3-(4-butoxy-3-methoxyphenyl)-N-propylprop-2-enamide
CID 52892563
(E)-3-(3-amino-4-fluorophenyl)-N-propylprop-2-enamide
CID 39245266
(Z)-3-(3-amino-4-propoxyphenyl)-N,N-dimethylprop-2-enamide
CID 82153493
(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-[2-(dimethylamino)ethoxy]phenyl]-N-propylprop-2-enamide?
The IUPAC name of (Z)-3-[3-amino-4-[2-(dimethylamino)ethoxy]phenyl]-N-propylprop-2-enamide (CID 82153048) is (Z)-3-[3-amino-4-[2-(dimethylamino)ethoxy]phenyl]-N-propylprop-2-enamide.
What is the SMILES notation for (Z)-3-[3-amino-4-[2-(dimethylamino)ethoxy]phenyl]-N-propylprop-2-enamide?
The canonical SMILES for (Z)-3-[3-amino-4-[2-(dimethylamino)ethoxy]phenyl]-N-propylprop-2-enamide is CCCNC(=O)/C=C\c1ccc(OCCN(C)C)c(N)c1.
What is the InChIKey of (Z)-3-[3-amino-4-[2-(dimethylamino)ethoxy]phenyl]-N-propylprop-2-enamide?
The InChIKey is IMLSKMWBFDUNJA-VURMDHGXSA-N. The full InChI is InChI=1S/C16H25N3O2/c1-4-9-18-16(20)8-6-13-5-7-15(14(17)12-13)21-11-10-19(2)3/h5-8,12H,4,9-11,17H2,1-3H3,(H,18,20)/b8-6-.
What are the key properties of (Z)-3-[3-amino-4-[2-(dimethylamino)ethoxy]phenyl]-N-propylprop-2-enamide?
(Z)-3-[3-amino-4-[2-(dimethylamino)ethoxy]phenyl]-N-propylprop-2-enamide has a molecular weight of 291.40 g/mol, XLogP of 1.75, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-[3-amino-4-[2-(dimethylamino)ethoxy]phenyl]-N-propylprop-2-enamide is sourced from PubChem (CID 82153048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).