2-methyl-N-[2-[2-(2-methylprop-2-enoylamino)ethylamino]ethyl]prop-2-enamide

C12H21N3O2 — CID 23396055

IUPAC2-methyl-N-[2-[2-(2-methylprop-2-enoylamino)ethylamino]ethyl]prop-2-enamide
SMILESC=C(C)C(=O)NCCNCCNC(=O)C(=C)C
InChIInChI=1S/C12H21N3O2/c1-9(2)11(16)14-7-5-13-6-8-15-12(17)10(3)4/h13H,1,3,5-8H2,2,4H3,(H,14,16)(H,15,17)
InChIKeyXTRDVTCHVDRKMV-UHFFFAOYSA-N
MW239.32 g/mol
LogP-0.04
Rot. Bonds8

About 2-methyl-N-[2-[2-(2-methylprop-2-enoylamino)ethylamino]ethyl]prop-2-enamide

2-methyl-N-[2-[2-(2-methylprop-2-enoylamino)ethylamino]ethyl]prop-2-enamide (PubChem CID 23396055) has the molecular formula C12H21N3O2 and a molecular weight of 239.32 g/mol. Its IUPAC name is 2-methyl-N-[2-[2-(2-methylprop-2-enoylamino)ethylamino]ethyl]prop-2-enamide.

Molecular Properties

Compound Name2-methyl-N-[2-[2-(2-methylprop-2-enoylamino)ethylamino]ethyl]prop-2-enamide
PubChem CID23396055
Molecular FormulaC12H21N3O2
Molecular Weight239.32 g/mol
Exact Mass239.16
IUPAC Name2-methyl-N-[2-[2-(2-methylprop-2-enoylamino)ethylamino]ethyl]prop-2-enamide
SMILESC=C(C)C(=O)NCCNCCNC(=O)C(=C)C
InChIInChI=1S/C12H21N3O2/c1-9(2)11(16)14-7-5-13-6-8-15-12(17)10(3)4/h13H,1,3,5-8H2,2,4H3,(H,14,16)(H,15,17)
InChIKeyXTRDVTCHVDRKMV-UHFFFAOYSA-N
XLogP-0.04
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.32
LogP ≤ 5-0.04
H-Bond Donors ≤ 53
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'}

Analyze 2-methyl-N-[2-[2-(2-methylprop-2-enoylamino)ethylamino]ethyl]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

N-(3-(Dimethylamino)propyl)methacrylamide
CID 78882
Methacrylamidopropyltrimethylammonium chloride
CID 106428
2-Propenamide, N-(3-aminopropyl)-2-methyl-, hydrochloride (1:1)
CID 10375005
N,N,N-trimethyl-3-[(2-methylacryloyl)amino]propan-1-aminium
CID 106429
N-(2-(dimethylamino)ethyl)methacrylamide
CID 83121
N,N'-(1,6-hexanediyl)bismethacrylamide
CID 85267
N-(2-aminoethyl)-2-methylprop-2-enamide hydrochloride
CID 22641179
N-Ethylmethacrylamide
CID 10313114
2-Methyl-N-propylprop-2-enamide
CID 9793765
N-Butylmethacrylamide
CID 9855497
Methacrylamide, N-isobutyl-
CID 13877722
(E)-2-methyl-N-[4-[3-[[(E)-2-methylbut-2-enoyl]amino]propylamino]butyl]but-2-enamide
CID 11666725

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[2-[2-(2-methylprop-2-enoylamino)ethylamino]ethyl]prop-2-enamide?
The IUPAC name of 2-methyl-N-[2-[2-(2-methylprop-2-enoylamino)ethylamino]ethyl]prop-2-enamide (CID 23396055) is 2-methyl-N-[2-[2-(2-methylprop-2-enoylamino)ethylamino]ethyl]prop-2-enamide.
What is the SMILES notation for 2-methyl-N-[2-[2-(2-methylprop-2-enoylamino)ethylamino]ethyl]prop-2-enamide?
The canonical SMILES for 2-methyl-N-[2-[2-(2-methylprop-2-enoylamino)ethylamino]ethyl]prop-2-enamide is C=C(C)C(=O)NCCNCCNC(=O)C(=C)C.
What is the InChIKey of 2-methyl-N-[2-[2-(2-methylprop-2-enoylamino)ethylamino]ethyl]prop-2-enamide?
The InChIKey is XTRDVTCHVDRKMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O2/c1-9(2)11(16)14-7-5-13-6-8-15-12(17)10(3)4/h13H,1,3,5-8H2,2,4H3,(H,14,16)(H,15,17).
What are the key properties of 2-methyl-N-[2-[2-(2-methylprop-2-enoylamino)ethylamino]ethyl]prop-2-enamide?
2-methyl-N-[2-[2-(2-methylprop-2-enoylamino)ethylamino]ethyl]prop-2-enamide has a molecular weight of 239.32 g/mol, XLogP of -0.04, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[2-[2-(2-methylprop-2-enoylamino)ethylamino]ethyl]prop-2-enamide is sourced from PubChem (CID 23396055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).