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

C17H28N4O2 — CID 94759712

IUPAC(Z)-3-[3-amino-4-[2-(dimethylamino)ethoxy]phenyl]-N-[2-(dimethylamino)ethyl]prop-2-enamide
SMILESCN(C)CCNC(=O)/C=C\c1ccc(OCCN(C)C)c(N)c1
InChIInChI=1S/C17H28N4O2/c1-20(2)10-9-19-17(22)8-6-14-5-7-16(15(18)13-14)23-12-11-21(3)4/h5-8,13H,9-12,18H2,1-4H3,(H,19,22)/b8-6-
InChIKeyMYVCQKKIGKCELS-VURMDHGXSA-N
MW320.44 g/mol
LogP0.90
Rot. Bonds9

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

(Z)-3-[3-amino-4-[2-(dimethylamino)ethoxy]phenyl]-N-[2-(dimethylamino)ethyl]prop-2-enamide (PubChem CID 94759712) has the molecular formula C17H28N4O2 and a molecular weight of 320.44 g/mol. Its IUPAC name is (Z)-3-[3-amino-4-[2-(dimethylamino)ethoxy]phenyl]-N-[2-(dimethylamino)ethyl]prop-2-enamide.

Molecular Properties

Compound Name(Z)-3-[3-amino-4-[2-(dimethylamino)ethoxy]phenyl]-N-[2-(dimethylamino)ethyl]prop-2-enamide
PubChem CID94759712
Molecular FormulaC17H28N4O2
Molecular Weight320.44 g/mol
Exact Mass320.22
IUPAC Name(Z)-3-[3-amino-4-[2-(dimethylamino)ethoxy]phenyl]-N-[2-(dimethylamino)ethyl]prop-2-enamide
SMILESCN(C)CCNC(=O)/C=C\c1ccc(OCCN(C)C)c(N)c1
InChIInChI=1S/C17H28N4O2/c1-20(2)10-9-19-17(22)8-6-14-5-7-16(15(18)13-14)23-12-11-21(3)4/h5-8,13H,9-12,18H2,1-4H3,(H,19,22)/b8-6-
InChIKeyMYVCQKKIGKCELS-VURMDHGXSA-N
XLogP0.90
TPSA70.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.44
LogP ≤ 50.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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-propylprop-2-enamide
CID 82153048
(Z)-3-[3-amino-4-(3-methylbutoxy)phenyl]-N-[2-(dimethylamino)ethyl]prop-2-enamide
CID 94759668
(Z)-3-(3-amino-4-propan-2-yloxyphenyl)-N-[2-(dimethylamino)ethyl]prop-2-enamide
CID 82152915
(Z)-3-(3-amino-4-prop-2-enoxyphenyl)-N-[3-(dimethylamino)propyl]prop-2-enamide
CID 82153029
(Z)-3-(3-amino-4-propoxyphenyl)-N-pentylprop-2-enamide
CID 82152955
(Z)-3-(3-amino-4-propoxyphenyl)-N-[2-(2-hydroxyethoxy)ethyl]prop-2-enamide
CID 94759629
(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-butylprop-2-enamide
CID 82153003
(Z)-3-(3-amino-4-methoxyphenyl)-N-[3-(diethylamino)propyl]prop-2-enamide
CID 82152836
(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
(E)-3-(3-methoxy-4-propoxyphenyl)-N-[2-(N-methylanilino)ethyl]prop-2-enamide
CID 30664111

Frequently Asked Questions

What is the IUPAC name of (Z)-3-[3-amino-4-[2-(dimethylamino)ethoxy]phenyl]-N-[2-(dimethylamino)ethyl]prop-2-enamide?
The IUPAC name of (Z)-3-[3-amino-4-[2-(dimethylamino)ethoxy]phenyl]-N-[2-(dimethylamino)ethyl]prop-2-enamide (CID 94759712) is (Z)-3-[3-amino-4-[2-(dimethylamino)ethoxy]phenyl]-N-[2-(dimethylamino)ethyl]prop-2-enamide.
What is the SMILES notation for (Z)-3-[3-amino-4-[2-(dimethylamino)ethoxy]phenyl]-N-[2-(dimethylamino)ethyl]prop-2-enamide?
The canonical SMILES for (Z)-3-[3-amino-4-[2-(dimethylamino)ethoxy]phenyl]-N-[2-(dimethylamino)ethyl]prop-2-enamide is CN(C)CCNC(=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-[2-(dimethylamino)ethyl]prop-2-enamide?
The InChIKey is MYVCQKKIGKCELS-VURMDHGXSA-N. The full InChI is InChI=1S/C17H28N4O2/c1-20(2)10-9-19-17(22)8-6-14-5-7-16(15(18)13-14)23-12-11-21(3)4/h5-8,13H,9-12,18H2,1-4H3,(H,19,22)/b8-6-.
What are the key properties of (Z)-3-[3-amino-4-[2-(dimethylamino)ethoxy]phenyl]-N-[2-(dimethylamino)ethyl]prop-2-enamide?
(Z)-3-[3-amino-4-[2-(dimethylamino)ethoxy]phenyl]-N-[2-(dimethylamino)ethyl]prop-2-enamide has a molecular weight of 320.44 g/mol, XLogP of 0.90, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-[3-amino-4-[2-(dimethylamino)ethoxy]phenyl]-N-[2-(dimethylamino)ethyl]prop-2-enamide is sourced from PubChem (CID 94759712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).