3-(3-chlorophenyl)-N-[2-(dimethylcarbamoylamino)ethyl]-N-methylprop-2-enamide

C15H20ClN3O2 — CID 91943847

IUPAC3-(3-chlorophenyl)-N-[2-(dimethylcarbamoylamino)ethyl]-N-methylprop-2-enamide
SMILESCN(C)C(=O)NCCN(C)C(=O)C=Cc1cccc(Cl)c1
InChIInChI=1S/C15H20ClN3O2/c1-18(2)15(21)17-9-10-19(3)14(20)8-7-12-5-4-6-13(16)11-12/h4-8,11H,9-10H2,1-3H3,(H,17,21)
InChIKeySCRCXZGLINGOHH-UHFFFAOYSA-N
MW309.80 g/mol
LogP2.08
Rot. Bonds5

About 3-(3-chlorophenyl)-N-[2-(dimethylcarbamoylamino)ethyl]-N-methylprop-2-enamide

3-(3-chlorophenyl)-N-[2-(dimethylcarbamoylamino)ethyl]-N-methylprop-2-enamide (PubChem CID 91943847) has the molecular formula C15H20ClN3O2 and a molecular weight of 309.80 g/mol. Its IUPAC name is 3-(3-chlorophenyl)-N-[2-(dimethylcarbamoylamino)ethyl]-N-methylprop-2-enamide.

Molecular Properties

Compound Name3-(3-chlorophenyl)-N-[2-(dimethylcarbamoylamino)ethyl]-N-methylprop-2-enamide
PubChem CID91943847
Molecular FormulaC15H20ClN3O2
Molecular Weight309.80 g/mol
Exact Mass309.12
IUPAC Name3-(3-chlorophenyl)-N-[2-(dimethylcarbamoylamino)ethyl]-N-methylprop-2-enamide
SMILESCN(C)C(=O)NCCN(C)C(=O)C=Cc1cccc(Cl)c1
InChIInChI=1S/C15H20ClN3O2/c1-18(2)15(21)17-9-10-19(3)14(20)8-7-12-5-4-6-13(16)11-12/h4-8,11H,9-10H2,1-3H3,(H,17,21)
InChIKeySCRCXZGLINGOHH-UHFFFAOYSA-N
XLogP2.08
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.80
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(E)-3-(3-chlorophenyl)-N-[7-[[(E)-3-(3-chlorophenyl)prop-2-enoyl]amino]heptyl]prop-2-enamide
CID 6167041
3-(3-chlorophenyl)-N-[2-(2-ethylanilino)-2-oxoethyl]-N-methylprop-2-enamide
CID 78756435
(E)-N-chloro-3-(3-chlorophenyl)prop-2-enehydrazide
CID 141226455
[2-(dimethylamino)-2-oxoethyl] 3-(3-chlorophenyl)prop-2-enoate
CID 5137847
3-[[(E)-3-(3-fluorophenyl)prop-2-enoyl]-methylamino]propanoic acid
CID 60989553
1-butyl-3-[(E)-2-(3-chlorophenyl)ethenyl]-1-methylurea
CID 108906642
1-[(E)-2-(3-chlorophenyl)ethenyl]-3-[3-(dimethylamino)propyl]urea
CID 108906605
(E)-3-(3-chlorophenyl)-N-cyclopropyl-N-(2-hydroxyethyl)prop-2-enamide
CID 43577307
(E)-3-(3-chlorophenyl)-N-(2-hydroxypropyl)prop-2-enamide
CID 43418514
N-butan-2-yl-3-(3-chlorophenyl)prop-2-enamide
CID 4106127
(E)-3-(3-chlorophenyl)-N-[[2-(dimethylsulfamoyl)phenyl]methyl]prop-2-enamide
CID 24614000
(E)-3-(3-chlorophenyl)-N-(2-chloroprop-2-enyl)prop-2-enamide
CID 115636575

Frequently Asked Questions

What is the IUPAC name of 3-(3-chlorophenyl)-N-[2-(dimethylcarbamoylamino)ethyl]-N-methylprop-2-enamide?
The IUPAC name of 3-(3-chlorophenyl)-N-[2-(dimethylcarbamoylamino)ethyl]-N-methylprop-2-enamide (CID 91943847) is 3-(3-chlorophenyl)-N-[2-(dimethylcarbamoylamino)ethyl]-N-methylprop-2-enamide.
What is the SMILES notation for 3-(3-chlorophenyl)-N-[2-(dimethylcarbamoylamino)ethyl]-N-methylprop-2-enamide?
The canonical SMILES for 3-(3-chlorophenyl)-N-[2-(dimethylcarbamoylamino)ethyl]-N-methylprop-2-enamide is CN(C)C(=O)NCCN(C)C(=O)C=Cc1cccc(Cl)c1.
What is the InChIKey of 3-(3-chlorophenyl)-N-[2-(dimethylcarbamoylamino)ethyl]-N-methylprop-2-enamide?
The InChIKey is SCRCXZGLINGOHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClN3O2/c1-18(2)15(21)17-9-10-19(3)14(20)8-7-12-5-4-6-13(16)11-12/h4-8,11H,9-10H2,1-3H3,(H,17,21).
What are the key properties of 3-(3-chlorophenyl)-N-[2-(dimethylcarbamoylamino)ethyl]-N-methylprop-2-enamide?
3-(3-chlorophenyl)-N-[2-(dimethylcarbamoylamino)ethyl]-N-methylprop-2-enamide has a molecular weight of 309.80 g/mol, XLogP of 2.08, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chlorophenyl)-N-[2-(dimethylcarbamoylamino)ethyl]-N-methylprop-2-enamide is sourced from PubChem (CID 91943847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).