(Z)-N,N-diethyl-3-(3-methoxyphenyl)prop-2-enamide

C14H19NO2 — CID 97304942

IUPAC(Z)-N,N-diethyl-3-(3-methoxyphenyl)prop-2-enamide
SMILESCCN(CC)C(=O)/C=C\c1cccc(OC)c1
InChIInChI=1S/C14H19NO2/c1-4-15(5-2)14(16)10-9-12-7-6-8-13(11-12)17-3/h6-11H,4-5H2,1-3H3/b10-9-
InChIKeyYAKWPGUAZFJODY-KTKRTIGZSA-N
MW233.31 g/mol
LogP2.58
Rot. Bonds5

About (Z)-N,N-diethyl-3-(3-methoxyphenyl)prop-2-enamide

(Z)-N,N-diethyl-3-(3-methoxyphenyl)prop-2-enamide (PubChem CID 97304942) has the molecular formula C14H19NO2 and a molecular weight of 233.31 g/mol. Its IUPAC name is (Z)-N,N-diethyl-3-(3-methoxyphenyl)prop-2-enamide.

Molecular Properties

Compound Name(Z)-N,N-diethyl-3-(3-methoxyphenyl)prop-2-enamide
PubChem CID97304942
Molecular FormulaC14H19NO2
Molecular Weight233.31 g/mol
Exact Mass233.14
IUPAC Name(Z)-N,N-diethyl-3-(3-methoxyphenyl)prop-2-enamide
SMILESCCN(CC)C(=O)/C=C\c1cccc(OC)c1
InChIInChI=1S/C14H19NO2/c1-4-15(5-2)14(16)10-9-12-7-6-8-13(11-12)17-3/h6-11H,4-5H2,1-3H3/b10-9-
InChIKeyYAKWPGUAZFJODY-KTKRTIGZSA-N
XLogP2.58
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(E)-N-(2-aminoethyl)-N-ethyl-3-(3-methoxyphenyl)prop-2-enamide
CID 82354408
(E)-N-(cyanomethyl)-N-ethyl-3-(3-methoxyphenyl)prop-2-enamide
CID 47074626
(E)-N-ethyl-N-(3-hydroxypropyl)-3-(3-methoxyphenyl)prop-2-enamide
CID 115771272
2-[3-(3-methoxyphenyl)prop-2-enoyl-prop-2-enylamino]acetic acid
CID 79263563
(E)-3-(3-aminophenyl)-N,N-diethylprop-2-enamide
CID 39243869
ethyl (E)-3-(3-methoxyphenyl)prop-2-enoate
CID 5373781
(Z)-N-benzyl-3-(3-methoxyphenyl)-N-prop-2-enylprop-2-enamide
CID 126836586
(E)-N-[2-(ethylamino)-2-oxoethyl]-3-(3-methoxyphenyl)-N-methylprop-2-enamide
CID 47255947
ethyl 6-(3-methoxyphenyl)-4-oxohex-5-enoate
CID 175343436
(E)-3-(3-aminophenyl)-N-ethyl-N-(2-methoxyethyl)prop-2-enamide
CID 115343730
N,N-diethyl-3-[[(E)-3-(3-methoxyphenyl)prop-2-enoyl]amino]benzamide
CID 26712685
(Z)-4-(3-methoxyphenyl)-2-oxobut-3-enoic acid
CID 93043949

Frequently Asked Questions

What is the IUPAC name of (Z)-N,N-diethyl-3-(3-methoxyphenyl)prop-2-enamide?
The IUPAC name of (Z)-N,N-diethyl-3-(3-methoxyphenyl)prop-2-enamide (CID 97304942) is (Z)-N,N-diethyl-3-(3-methoxyphenyl)prop-2-enamide.
What is the SMILES notation for (Z)-N,N-diethyl-3-(3-methoxyphenyl)prop-2-enamide?
The canonical SMILES for (Z)-N,N-diethyl-3-(3-methoxyphenyl)prop-2-enamide is CCN(CC)C(=O)/C=C\c1cccc(OC)c1.
What is the InChIKey of (Z)-N,N-diethyl-3-(3-methoxyphenyl)prop-2-enamide?
The InChIKey is YAKWPGUAZFJODY-KTKRTIGZSA-N. The full InChI is InChI=1S/C14H19NO2/c1-4-15(5-2)14(16)10-9-12-7-6-8-13(11-12)17-3/h6-11H,4-5H2,1-3H3/b10-9-.
What are the key properties of (Z)-N,N-diethyl-3-(3-methoxyphenyl)prop-2-enamide?
(Z)-N,N-diethyl-3-(3-methoxyphenyl)prop-2-enamide has a molecular weight of 233.31 g/mol, XLogP of 2.58, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N,N-diethyl-3-(3-methoxyphenyl)prop-2-enamide is sourced from PubChem (CID 97304942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).