(E)-3-(4-acetamidophenyl)-N-(2-methoxyethyl)prop-2-enamide

C14H18N2O3 — CID 51339871

IUPAC(E)-3-(4-acetamidophenyl)-N-(2-methoxyethyl)prop-2-enamide
SMILESCOCCNC(=O)/C=C/c1ccc(NC(C)=O)cc1
InChIInChI=1S/C14H18N2O3/c1-11(17)16-13-6-3-12(4-7-13)5-8-14(18)15-9-10-19-2/h3-8H,9-10H2,1-2H3,(H,15,18)(H,16,17)/b8-5+
InChIKeyCGPISZPAZKEYDO-VMPITWQZSA-N
MW262.31 g/mol
LogP1.42
Rot. Bonds6

About (E)-3-(4-acetamidophenyl)-N-(2-methoxyethyl)prop-2-enamide

(E)-3-(4-acetamidophenyl)-N-(2-methoxyethyl)prop-2-enamide (PubChem CID 51339871) has the molecular formula C14H18N2O3 and a molecular weight of 262.31 g/mol. Its IUPAC name is (E)-3-(4-acetamidophenyl)-N-(2-methoxyethyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(4-acetamidophenyl)-N-(2-methoxyethyl)prop-2-enamide
PubChem CID51339871
Molecular FormulaC14H18N2O3
Molecular Weight262.31 g/mol
Exact Mass262.13
IUPAC Name(E)-3-(4-acetamidophenyl)-N-(2-methoxyethyl)prop-2-enamide
SMILESCOCCNC(=O)/C=C/c1ccc(NC(C)=O)cc1
InChIInChI=1S/C14H18N2O3/c1-11(17)16-13-6-3-12(4-7-13)5-8-14(18)15-9-10-19-2/h3-8H,9-10H2,1-2H3,(H,15,18)(H,16,17)/b8-5+
InChIKeyCGPISZPAZKEYDO-VMPITWQZSA-N
XLogP1.42
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 51.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(E)-3-(4-acetamidophenyl)-N-(3-butoxypropyl)prop-2-enamide
CID 31255727
N-(2-methoxyethyl)-3-(4-propan-2-ylphenyl)prop-2-enamide
CID 2927461
N-[2-[[(E)-3-(4-acetamidophenyl)prop-2-enoyl]amino]ethyl]-4-chlorobenzamide
CID 35004982
(E)-3-(4-acetamidophenyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]prop-2-enamide
CID 31254061
N-cyclopropyl-4-[(E)-3-(2-methoxyethylamino)-3-oxoprop-1-enyl]benzamide
CID 35551214
(E)-3-(4-acetamidophenyl)-N-methylprop-2-enamide
CID 47142125
3-(3,4-dichlorophenyl)-N-(3-methoxypropyl)prop-2-enamide
CID 4676391
N-[4-[(1Z,4E)-5-(4-acetamidophenyl)-3-oxopenta-1,4-dienyl]phenyl]acetamide
CID 92840931
3-(4-methoxyphenyl)-N-[2-[3-(4-methoxyphenyl)prop-2-enoylamino]ethyl]prop-2-enamide
CID 2933087
4-[(E)-3-(3-methoxypropylamino)-3-oxoprop-1-enyl]-N,N-dimethylbenzamide
CID 110300635
(E)-3-(4-ethoxyphenyl)-N-[4-(2-methoxyethoxy)phenyl]prop-2-enamide
CID 17227131
(E)-3-(4-acetamidophenyl)-N-[(2,3-dimethoxyphenyl)methyl]prop-2-enamide
CID 46590717

Frequently Asked Questions

What is the IUPAC name of (E)-3-(4-acetamidophenyl)-N-(2-methoxyethyl)prop-2-enamide?
The IUPAC name of (E)-3-(4-acetamidophenyl)-N-(2-methoxyethyl)prop-2-enamide (CID 51339871) is (E)-3-(4-acetamidophenyl)-N-(2-methoxyethyl)prop-2-enamide.
What is the SMILES notation for (E)-3-(4-acetamidophenyl)-N-(2-methoxyethyl)prop-2-enamide?
The canonical SMILES for (E)-3-(4-acetamidophenyl)-N-(2-methoxyethyl)prop-2-enamide is COCCNC(=O)/C=C/c1ccc(NC(C)=O)cc1.
What is the InChIKey of (E)-3-(4-acetamidophenyl)-N-(2-methoxyethyl)prop-2-enamide?
The InChIKey is CGPISZPAZKEYDO-VMPITWQZSA-N. The full InChI is InChI=1S/C14H18N2O3/c1-11(17)16-13-6-3-12(4-7-13)5-8-14(18)15-9-10-19-2/h3-8H,9-10H2,1-2H3,(H,15,18)(H,16,17)/b8-5+.
What are the key properties of (E)-3-(4-acetamidophenyl)-N-(2-methoxyethyl)prop-2-enamide?
(E)-3-(4-acetamidophenyl)-N-(2-methoxyethyl)prop-2-enamide has a molecular weight of 262.31 g/mol, XLogP of 1.42, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(4-acetamidophenyl)-N-(2-methoxyethyl)prop-2-enamide is sourced from PubChem (CID 51339871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).