(Z)-N-benzyl-3-(3-methoxyphenyl)-N-prop-2-enylprop-2-enamide

C20H21NO2 — CID 126836586

IUPAC(Z)-N-benzyl-3-(3-methoxyphenyl)-N-prop-2-enylprop-2-enamide
SMILESC=CCN(Cc1ccccc1)C(=O)/C=C\c1cccc(OC)c1
InChIInChI=1S/C20H21NO2/c1-3-14-21(16-18-8-5-4-6-9-18)20(22)13-12-17-10-7-11-19(15-17)23-2/h3-13,15H,1,14,16H2,2H3/b13-12-
InChIKeyASCZWJOUACHZEJ-SEYXRHQNSA-N
MW307.39 g/mol
LogP3.92
Rot. Bonds7

About (Z)-N-benzyl-3-(3-methoxyphenyl)-N-prop-2-enylprop-2-enamide

(Z)-N-benzyl-3-(3-methoxyphenyl)-N-prop-2-enylprop-2-enamide (PubChem CID 126836586) has the molecular formula C20H21NO2 and a molecular weight of 307.39 g/mol. Its IUPAC name is (Z)-N-benzyl-3-(3-methoxyphenyl)-N-prop-2-enylprop-2-enamide.

Molecular Properties

Compound Name(Z)-N-benzyl-3-(3-methoxyphenyl)-N-prop-2-enylprop-2-enamide
PubChem CID126836586
Molecular FormulaC20H21NO2
Molecular Weight307.39 g/mol
Exact Mass307.16
IUPAC Name(Z)-N-benzyl-3-(3-methoxyphenyl)-N-prop-2-enylprop-2-enamide
SMILESC=CCN(Cc1ccccc1)C(=O)/C=C\c1cccc(OC)c1
InChIInChI=1S/C20H21NO2/c1-3-14-21(16-18-8-5-4-6-9-18)20(22)13-12-17-10-7-11-19(15-17)23-2/h3-13,15H,1,14,16H2,2H3/b13-12-
InChIKeyASCZWJOUACHZEJ-SEYXRHQNSA-N
XLogP3.92
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.39
LogP ≤ 53.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[3-(3-methoxyphenyl)prop-2-enoyl-prop-2-enylamino]acetic acid
CID 79263563
(Z)-N,N-diethyl-3-(3-methoxyphenyl)prop-2-enamide
CID 97304942
3-(2,5-dimethoxyphenyl)-N-[(4-methoxyphenyl)methyl]-N-prop-2-enylprop-2-enamide
CID 55918463
(Z)-N,N-dibenzyl-3-phenylprop-2-enamide
CID 11163228
(E)-N-[(4-methoxyphenyl)methyl]-3-(3-methoxy-4-propoxyphenyl)-N-prop-2-enylprop-2-enamide
CID 55919224
(E)-4-[(3-methylphenyl)methyl-prop-2-enylamino]-4-oxobut-2-enoic acid
CID 39360086
N,N-dibenzyl-3-(3,4,5-trimethoxyphenyl)prop-2-enamide
CID 76857554
(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
(E)-N-benzyl-3-(3,4-dimethoxyphenyl)-N-ethylprop-2-enamide
CID 6057475
N-benzyl-N-(cyclopropylmethyl)-3-(4-methoxyphenyl)prop-2-enamide
CID 3346658

Frequently Asked Questions

What is the IUPAC name of (Z)-N-benzyl-3-(3-methoxyphenyl)-N-prop-2-enylprop-2-enamide?
The IUPAC name of (Z)-N-benzyl-3-(3-methoxyphenyl)-N-prop-2-enylprop-2-enamide (CID 126836586) is (Z)-N-benzyl-3-(3-methoxyphenyl)-N-prop-2-enylprop-2-enamide.
What is the SMILES notation for (Z)-N-benzyl-3-(3-methoxyphenyl)-N-prop-2-enylprop-2-enamide?
The canonical SMILES for (Z)-N-benzyl-3-(3-methoxyphenyl)-N-prop-2-enylprop-2-enamide is C=CCN(Cc1ccccc1)C(=O)/C=C\c1cccc(OC)c1.
What is the InChIKey of (Z)-N-benzyl-3-(3-methoxyphenyl)-N-prop-2-enylprop-2-enamide?
The InChIKey is ASCZWJOUACHZEJ-SEYXRHQNSA-N. The full InChI is InChI=1S/C20H21NO2/c1-3-14-21(16-18-8-5-4-6-9-18)20(22)13-12-17-10-7-11-19(15-17)23-2/h3-13,15H,1,14,16H2,2H3/b13-12-.
What are the key properties of (Z)-N-benzyl-3-(3-methoxyphenyl)-N-prop-2-enylprop-2-enamide?
(Z)-N-benzyl-3-(3-methoxyphenyl)-N-prop-2-enylprop-2-enamide has a molecular weight of 307.39 g/mol, XLogP of 3.92, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-benzyl-3-(3-methoxyphenyl)-N-prop-2-enylprop-2-enamide is sourced from PubChem (CID 126836586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).