(Z)-N-ethyl-N-(3-methoxyprop-1-en-2-yl)but-2-enamide

C10H17NO2 — CID 172614344

IUPAC(Z)-N-ethyl-N-(3-methoxyprop-1-en-2-yl)but-2-enamide
SMILESC=C(COC)N(CC)C(=O)/C=C\C
InChIInChI=1S/C10H17NO2/c1-5-7-10(12)11(6-2)9(3)8-13-4/h5,7H,3,6,8H2,1-2,4H3/b7-5-
InChIKeyTVIPOXQWJDAWFR-ALCCZGGFSA-N
MW183.25 g/mol
LogP1.57
Rot. Bonds5

About (Z)-N-ethyl-N-(3-methoxyprop-1-en-2-yl)but-2-enamide

(Z)-N-ethyl-N-(3-methoxyprop-1-en-2-yl)but-2-enamide (PubChem CID 172614344) has the molecular formula C10H17NO2 and a molecular weight of 183.25 g/mol. Its IUPAC name is (Z)-N-ethyl-N-(3-methoxyprop-1-en-2-yl)but-2-enamide.

Molecular Properties

Compound Name(Z)-N-ethyl-N-(3-methoxyprop-1-en-2-yl)but-2-enamide
PubChem CID172614344
Molecular FormulaC10H17NO2
Molecular Weight183.25 g/mol
Exact Mass183.13
IUPAC Name(Z)-N-ethyl-N-(3-methoxyprop-1-en-2-yl)but-2-enamide
SMILESC=C(COC)N(CC)C(=O)/C=C\C
InChIInChI=1S/C10H17NO2/c1-5-7-10(12)11(6-2)9(3)8-13-4/h5,7H,3,6,8H2,1-2,4H3/b7-5-
InChIKeyTVIPOXQWJDAWFR-ALCCZGGFSA-N
XLogP1.57
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.25
LogP ≤ 51.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (Z)-N-ethyl-N-(3-methoxyprop-1-en-2-yl)but-2-enamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(Z)-N-ethyl-N-methylbut-2-enamide
CID 90437080
(E)-N-ethyl-N-methylbut-2-enamide
CID 88882032
(3Z,5Z)-2-(methoxymethyl)-3,4-dimethylhepta-1,3,5-triene
CID 118070320
N-ethyl-N-[1-[ethyl(prop-2-enoyl)amino]prop-1-enyl]prop-2-enamide
CID 87562000
(E)-N,N-dipropylbut-2-enamide
CID 21329403
ethyl 2-[[(E)-but-2-enoyl]-ethylamino]acetate
CID 61011838
methyl N-ethyl-N-(2-methoxyacetyl)carbamodithioate
CID 145483760
N-(2-methoxyethyl)-N-(2-methylpropyl)but-2-enamide
CID 112725970
3-(methoxymethyl)-2-methylhexa-2,4-diene
CID 123167394
acetaldehyde;1-methoxybutan-2-one
CID 144521469
(E)-5-methoxy-5-(methoxymethyl)-6-methylideneoct-2-en-4-one
CID 141103502
(E)-N,N-diethyl-4-methoxybut-2-enamide
CID 154627835

Frequently Asked Questions

What is the IUPAC name of (Z)-N-ethyl-N-(3-methoxyprop-1-en-2-yl)but-2-enamide?
The IUPAC name of (Z)-N-ethyl-N-(3-methoxyprop-1-en-2-yl)but-2-enamide (CID 172614344) is (Z)-N-ethyl-N-(3-methoxyprop-1-en-2-yl)but-2-enamide.
What is the SMILES notation for (Z)-N-ethyl-N-(3-methoxyprop-1-en-2-yl)but-2-enamide?
The canonical SMILES for (Z)-N-ethyl-N-(3-methoxyprop-1-en-2-yl)but-2-enamide is C=C(COC)N(CC)C(=O)/C=C\C.
What is the InChIKey of (Z)-N-ethyl-N-(3-methoxyprop-1-en-2-yl)but-2-enamide?
The InChIKey is TVIPOXQWJDAWFR-ALCCZGGFSA-N. The full InChI is InChI=1S/C10H17NO2/c1-5-7-10(12)11(6-2)9(3)8-13-4/h5,7H,3,6,8H2,1-2,4H3/b7-5-.
What are the key properties of (Z)-N-ethyl-N-(3-methoxyprop-1-en-2-yl)but-2-enamide?
(Z)-N-ethyl-N-(3-methoxyprop-1-en-2-yl)but-2-enamide has a molecular weight of 183.25 g/mol, XLogP of 1.57, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-ethyl-N-(3-methoxyprop-1-en-2-yl)but-2-enamide is sourced from PubChem (CID 172614344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).