(E)-3-(4-chlorophenyl)-N-[2-(3-methoxypropylamino)-2-oxoethyl]-N-methylprop-2-enamide

C16H21ClN2O3 — CID 51307815

IUPAC(E)-3-(4-chlorophenyl)-N-[2-(3-methoxypropylamino)-2-oxoethyl]-N-methylprop-2-enamide
SMILESCOCCCNC(=O)CN(C)C(=O)/C=C/c1ccc(Cl)cc1
InChIInChI=1S/C16H21ClN2O3/c1-19(12-15(20)18-10-3-11-22-2)16(21)9-6-13-4-7-14(17)8-5-13/h4-9H,3,10-12H2,1-2H3,(H,18,20)/b9-6+
InChIKeyMOHLWLLRABXXDP-RMKNXTFCSA-N
MW324.81 g/mol
LogP1.96
Rot. Bonds8

About (E)-3-(4-chlorophenyl)-N-[2-(3-methoxypropylamino)-2-oxoethyl]-N-methylprop-2-enamide

(E)-3-(4-chlorophenyl)-N-[2-(3-methoxypropylamino)-2-oxoethyl]-N-methylprop-2-enamide (PubChem CID 51307815) has the molecular formula C16H21ClN2O3 and a molecular weight of 324.81 g/mol. Its IUPAC name is (E)-3-(4-chlorophenyl)-N-[2-(3-methoxypropylamino)-2-oxoethyl]-N-methylprop-2-enamide.

Molecular Properties

Compound Name(E)-3-(4-chlorophenyl)-N-[2-(3-methoxypropylamino)-2-oxoethyl]-N-methylprop-2-enamide
PubChem CID51307815
Molecular FormulaC16H21ClN2O3
Molecular Weight324.81 g/mol
Exact Mass324.12
IUPAC Name(E)-3-(4-chlorophenyl)-N-[2-(3-methoxypropylamino)-2-oxoethyl]-N-methylprop-2-enamide
SMILESCOCCCNC(=O)CN(C)C(=O)/C=C/c1ccc(Cl)cc1
InChIInChI=1S/C16H21ClN2O3/c1-19(12-15(20)18-10-3-11-22-2)16(21)9-6-13-4-7-14(17)8-5-13/h4-9H,3,10-12H2,1-2H3,(H,18,20)/b9-6+
InChIKeyMOHLWLLRABXXDP-RMKNXTFCSA-N
XLogP1.96
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.81
LogP ≤ 51.96
H-Bond Donors ≤ 51
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)-N-[2-(3-methoxypropylamino)-2-oxoethyl]-N-methyl-3-thiophen-3-ylprop-2-enamide
CID 51095004
(E)-3-(3-methoxyphenyl)-N-[2-(3-methoxypropylamino)-2-oxoethyl]-N-methylprop-2-enamide
CID 51307851
(E)-3-(4-chlorophenyl)-N-[2-(4-methoxyanilino)-2-oxoethyl]-N-methylprop-2-enamide
CID 7936691
2-chloro-N-[2-(3-methoxypropylamino)-2-oxoethyl]-N-methylbenzamide
CID 51307796
(E)-3-(4-bromophenyl)-N-[2-(4-chloroanilino)-2-oxoethyl]-N-methylprop-2-enamide
CID 9417172
(E)-N-methyl-N-[2-oxo-2-(propylamino)ethyl]-3-phenylprop-2-enamide
CID 7972275
2-[(5-chloro-2-methoxyphenyl)methyl-methylamino]-N-(3-methoxypropyl)acetamide
CID 51227933
4-chloro-N-[2-(3-methoxypropylamino)-2-oxoethyl]-N-methylpyridine-2-carboxamide
CID 60707787
2-chloro-6-fluoro-N-[2-(3-methoxypropylamino)-2-oxoethyl]-N-methylbenzamide
CID 51307804
4-[(E)-3-(3-methoxypropylamino)-3-oxoprop-1-enyl]-N,N-dimethylbenzamide
CID 110300635
4-(dimethylamino)-N-[2-(3-methoxypropylamino)-2-oxoethyl]-N-methylbenzamide
CID 51098419
(E)-N-[2-(4-chloroanilino)-2-oxoethyl]-3-(3-methoxy-4-propoxyphenyl)-N-methylprop-2-enamide
CID 9417145

Frequently Asked Questions

What is the IUPAC name of (E)-3-(4-chlorophenyl)-N-[2-(3-methoxypropylamino)-2-oxoethyl]-N-methylprop-2-enamide?
The IUPAC name of (E)-3-(4-chlorophenyl)-N-[2-(3-methoxypropylamino)-2-oxoethyl]-N-methylprop-2-enamide (CID 51307815) is (E)-3-(4-chlorophenyl)-N-[2-(3-methoxypropylamino)-2-oxoethyl]-N-methylprop-2-enamide.
What is the SMILES notation for (E)-3-(4-chlorophenyl)-N-[2-(3-methoxypropylamino)-2-oxoethyl]-N-methylprop-2-enamide?
The canonical SMILES for (E)-3-(4-chlorophenyl)-N-[2-(3-methoxypropylamino)-2-oxoethyl]-N-methylprop-2-enamide is COCCCNC(=O)CN(C)C(=O)/C=C/c1ccc(Cl)cc1.
What is the InChIKey of (E)-3-(4-chlorophenyl)-N-[2-(3-methoxypropylamino)-2-oxoethyl]-N-methylprop-2-enamide?
The InChIKey is MOHLWLLRABXXDP-RMKNXTFCSA-N. The full InChI is InChI=1S/C16H21ClN2O3/c1-19(12-15(20)18-10-3-11-22-2)16(21)9-6-13-4-7-14(17)8-5-13/h4-9H,3,10-12H2,1-2H3,(H,18,20)/b9-6+.
What are the key properties of (E)-3-(4-chlorophenyl)-N-[2-(3-methoxypropylamino)-2-oxoethyl]-N-methylprop-2-enamide?
(E)-3-(4-chlorophenyl)-N-[2-(3-methoxypropylamino)-2-oxoethyl]-N-methylprop-2-enamide has a molecular weight of 324.81 g/mol, XLogP of 1.96, 8 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-[2-(3-methoxypropylamino)-2-oxoethyl]-N-methylprop-2-enamide is sourced from PubChem (CID 51307815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).