(E)-3-(4-chlorophenyl)-N-(methoxymethoxy)prop-2-enamide

C11H12ClNO3 — CID 110495511

IUPAC(E)-3-(4-chlorophenyl)-N-(methoxymethoxy)prop-2-enamide
SMILESCOCONC(=O)/C=C/c1ccc(Cl)cc1
InChIInChI=1S/C11H12ClNO3/c1-15-8-16-13-11(14)7-4-9-2-5-10(12)6-3-9/h2-7H,8H2,1H3,(H,13,14)/b7-4+
InChIKeyCAEUQDATXBACGO-QPJJXVBHSA-N
MW241.67 g/mol
LogP2.00
Rot. Bonds5

About (E)-3-(4-chlorophenyl)-N-(methoxymethoxy)prop-2-enamide

(E)-3-(4-chlorophenyl)-N-(methoxymethoxy)prop-2-enamide (PubChem CID 110495511) has the molecular formula C11H12ClNO3 and a molecular weight of 241.67 g/mol. Its IUPAC name is (E)-3-(4-chlorophenyl)-N-(methoxymethoxy)prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(4-chlorophenyl)-N-(methoxymethoxy)prop-2-enamide
PubChem CID110495511
Molecular FormulaC11H12ClNO3
Molecular Weight241.67 g/mol
Exact Mass241.05
IUPAC Name(E)-3-(4-chlorophenyl)-N-(methoxymethoxy)prop-2-enamide
SMILESCOCONC(=O)/C=C/c1ccc(Cl)cc1
InChIInChI=1S/C11H12ClNO3/c1-15-8-16-13-11(14)7-4-9-2-5-10(12)6-3-9/h2-7H,8H2,1H3,(H,13,14)/b7-4+
InChIKeyCAEUQDATXBACGO-QPJJXVBHSA-N
XLogP2.00
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.67
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze (E)-3-(4-chlorophenyl)-N-(methoxymethoxy)prop-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

(E)-3-(4-chlorophenyl)-N-[2-(methylamino)-2-oxoethoxy]prop-2-enamide
CID 110495665
3-(4-chlorophenyl)-N-methylprop-2-enamide
CID 4142427
5-(4-chlorophenyl)-3-methoxypenta-2,4-dienoic acid
CID 71336819
(E)-3-(3,5-dichlorophenyl)-N-(2-methoxyethoxy)prop-2-enamide
CID 79675580
(E)-3-(4-ethylphenyl)-N-(2-methoxyethoxy)prop-2-enamide
CID 79676613
2-[[(E)-3-(4-chlorophenyl)prop-2-enoyl]amino]-3-methoxypropanoic acid
CID 81080270
(E)-3-(furan-2-yl)-N-(methoxymethoxy)prop-2-enamide
CID 110495553
methyl (E)-4-(4-chlorophenyl)-2-oxobut-3-enoate
CID 11736256
ethyl 3-[[(E)-3-(4-chlorophenyl)prop-2-enoyl]amino]propanoate
CID 47437704
3-[[(E)-3-(4-chlorophenyl)prop-2-enoyl]amino]-2-methoxypropanoic acid
CID 106108058
N-(4-chlorophenyl)-3-(4-methoxyphenyl)prop-2-enamide
CID 773597
3-(4-chlorophenyl)-N-(4-methoxyphenyl)prop-2-enamide
CID 692413

Frequently Asked Questions

What is the IUPAC name of (E)-3-(4-chlorophenyl)-N-(methoxymethoxy)prop-2-enamide?
The IUPAC name of (E)-3-(4-chlorophenyl)-N-(methoxymethoxy)prop-2-enamide (CID 110495511) is (E)-3-(4-chlorophenyl)-N-(methoxymethoxy)prop-2-enamide.
What is the SMILES notation for (E)-3-(4-chlorophenyl)-N-(methoxymethoxy)prop-2-enamide?
The canonical SMILES for (E)-3-(4-chlorophenyl)-N-(methoxymethoxy)prop-2-enamide is COCONC(=O)/C=C/c1ccc(Cl)cc1.
What is the InChIKey of (E)-3-(4-chlorophenyl)-N-(methoxymethoxy)prop-2-enamide?
The InChIKey is CAEUQDATXBACGO-QPJJXVBHSA-N. The full InChI is InChI=1S/C11H12ClNO3/c1-15-8-16-13-11(14)7-4-9-2-5-10(12)6-3-9/h2-7H,8H2,1H3,(H,13,14)/b7-4+.
What are the key properties of (E)-3-(4-chlorophenyl)-N-(methoxymethoxy)prop-2-enamide?
(E)-3-(4-chlorophenyl)-N-(methoxymethoxy)prop-2-enamide has a molecular weight of 241.67 g/mol, XLogP of 2.00, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(4-chlorophenyl)-N-(methoxymethoxy)prop-2-enamide is sourced from PubChem (CID 110495511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).