(Z)-3-(4-chlorophenyl)-N-[3-(2-hydroxyethoxy)propyl]-2-methylprop-2-enamide

C15H20ClNO3 — CID 110026658

IUPAC(Z)-3-(4-chlorophenyl)-N-[3-(2-hydroxyethoxy)propyl]-2-methylprop-2-enamide
SMILESC/C(=C/c1ccc(Cl)cc1)C(=O)NCCCOCCO
InChIInChI=1S/C15H20ClNO3/c1-12(11-13-3-5-14(16)6-4-13)15(19)17-7-2-9-20-10-8-18/h3-6,11,18H,2,7-10H2,1H3,(H,17,19)/b12-11-
InChIKeyJQXFWFQJNBGULH-QXMHVHEDSA-N
MW297.78 g/mol
LogP2.26
Rot. Bonds8

About (Z)-3-(4-chlorophenyl)-N-[3-(2-hydroxyethoxy)propyl]-2-methylprop-2-enamide

(Z)-3-(4-chlorophenyl)-N-[3-(2-hydroxyethoxy)propyl]-2-methylprop-2-enamide (PubChem CID 110026658) has the molecular formula C15H20ClNO3 and a molecular weight of 297.78 g/mol. Its IUPAC name is (Z)-3-(4-chlorophenyl)-N-[3-(2-hydroxyethoxy)propyl]-2-methylprop-2-enamide.

Molecular Properties

Compound Name(Z)-3-(4-chlorophenyl)-N-[3-(2-hydroxyethoxy)propyl]-2-methylprop-2-enamide
PubChem CID110026658
Molecular FormulaC15H20ClNO3
Molecular Weight297.78 g/mol
Exact Mass297.11
IUPAC Name(Z)-3-(4-chlorophenyl)-N-[3-(2-hydroxyethoxy)propyl]-2-methylprop-2-enamide
SMILESC/C(=C/c1ccc(Cl)cc1)C(=O)NCCCOCCO
InChIInChI=1S/C15H20ClNO3/c1-12(11-13-3-5-14(16)6-4-13)15(19)17-7-2-9-20-10-8-18/h3-6,11,18H,2,7-10H2,1H3,(H,17,19)/b12-11-
InChIKeyJQXFWFQJNBGULH-QXMHVHEDSA-N
XLogP2.26
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.78
LogP ≤ 52.26
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

1-[1-(4-chlorophenyl)ethyl]-3-[3-(2-hydroxyethoxy)propyl]urea
CID 110024080
(E)-3-(4-chlorophenyl)-2-methyl-N-(2-piperidin-1-ylsulfonylethyl)prop-2-enamide
CID 110306654
(E)-3-(4-chlorophenyl)-2-methyl-N-[2-(2-oxo-3H-benzimidazol-1-yl)ethyl]prop-2-enamide
CID 110617575
(E)-N-[2-(5-tert-butyl-1,2,4-oxadiazol-3-yl)ethyl]-3-(4-chlorophenyl)-2-methylprop-2-enamide
CID 110311130
N'-[(4-chlorophenyl)methyl]-N-(3-ethoxypropyl)oxamide
CID 21369940
N'-[2-(4-chlorophenyl)ethyl]-N-(3-ethoxypropyl)oxamide
CID 125144861
1-(2,4-dichlorophenyl)-3-[3-(2-hydroxyethoxy)propyl]urea
CID 110019202
1-[(E)-2-(4-chlorophenyl)ethenyl]-3-(3-ethoxypropyl)urea
CID 108908330
(E)-3-(4-chlorophenyl)-2-methyl-N-(2-morpholin-4-ylsulfonylethyl)prop-2-enamide
CID 110306701
N-[3-(2-bromoethoxy)propyl]-4-chlorobenzamide
CID 106307307
(E)-3-(4-chlorophenyl)-2-methyl-N-[2-(2-morpholin-4-ylethylamino)-2-oxoethyl]prop-2-enamide
CID 110305494
ethyl 4-[2-[[(E)-3-(4-chlorophenyl)-2-methylprop-2-enoyl]amino]acetyl]piperazine-1-carboxylate
CID 110305634

Frequently Asked Questions

What is the IUPAC name of (Z)-3-(4-chlorophenyl)-N-[3-(2-hydroxyethoxy)propyl]-2-methylprop-2-enamide?
The IUPAC name of (Z)-3-(4-chlorophenyl)-N-[3-(2-hydroxyethoxy)propyl]-2-methylprop-2-enamide (CID 110026658) is (Z)-3-(4-chlorophenyl)-N-[3-(2-hydroxyethoxy)propyl]-2-methylprop-2-enamide.
What is the SMILES notation for (Z)-3-(4-chlorophenyl)-N-[3-(2-hydroxyethoxy)propyl]-2-methylprop-2-enamide?
The canonical SMILES for (Z)-3-(4-chlorophenyl)-N-[3-(2-hydroxyethoxy)propyl]-2-methylprop-2-enamide is C/C(=C/c1ccc(Cl)cc1)C(=O)NCCCOCCO.
What is the InChIKey of (Z)-3-(4-chlorophenyl)-N-[3-(2-hydroxyethoxy)propyl]-2-methylprop-2-enamide?
The InChIKey is JQXFWFQJNBGULH-QXMHVHEDSA-N. The full InChI is InChI=1S/C15H20ClNO3/c1-12(11-13-3-5-14(16)6-4-13)15(19)17-7-2-9-20-10-8-18/h3-6,11,18H,2,7-10H2,1H3,(H,17,19)/b12-11-.
What are the key properties of (Z)-3-(4-chlorophenyl)-N-[3-(2-hydroxyethoxy)propyl]-2-methylprop-2-enamide?
(Z)-3-(4-chlorophenyl)-N-[3-(2-hydroxyethoxy)propyl]-2-methylprop-2-enamide has a molecular weight of 297.78 g/mol, XLogP of 2.26, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-(4-chlorophenyl)-N-[3-(2-hydroxyethoxy)propyl]-2-methylprop-2-enamide is sourced from PubChem (CID 110026658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).