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

C14H21N3O3 — CID 139442568

IUPAC2-methyl-N-[2-[2-methylprop-2-enoyl-(2-methylprop-2-enoylamino)amino]ethyl]prop-2-enamide
SMILESC=C(C)C(=O)NCCN(NC(=O)C(=C)C)C(=O)C(=C)C
InChIInChI=1S/C14H21N3O3/c1-9(2)12(18)15-7-8-17(14(20)11(5)6)16-13(19)10(3)4/h1,3,5,7-8H2,2,4,6H3,(H,15,18)(H,16,19)
InChIKeyAASQMXNLCMQSAT-UHFFFAOYSA-N
MW279.34 g/mol
LogP0.69
Rot. Bonds6

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

2-methyl-N-[2-[2-methylprop-2-enoyl-(2-methylprop-2-enoylamino)amino]ethyl]prop-2-enamide (PubChem CID 139442568) has the molecular formula C14H21N3O3 and a molecular weight of 279.34 g/mol. Its IUPAC name is 2-methyl-N-[2-[2-methylprop-2-enoyl-(2-methylprop-2-enoylamino)amino]ethyl]prop-2-enamide.

Molecular Properties

Compound Name2-methyl-N-[2-[2-methylprop-2-enoyl-(2-methylprop-2-enoylamino)amino]ethyl]prop-2-enamide
PubChem CID139442568
Molecular FormulaC14H21N3O3
Molecular Weight279.34 g/mol
Exact Mass279.16
IUPAC Name2-methyl-N-[2-[2-methylprop-2-enoyl-(2-methylprop-2-enoylamino)amino]ethyl]prop-2-enamide
SMILESC=C(C)C(=O)NCCN(NC(=O)C(=C)C)C(=O)C(=C)C
InChIInChI=1S/C14H21N3O3/c1-9(2)12(18)15-7-8-17(14(20)11(5)6)16-13(19)10(3)4/h1,3,5,7-8H2,2,4,6H3,(H,15,18)(H,16,19)
InChIKeyAASQMXNLCMQSAT-UHFFFAOYSA-N
XLogP0.69
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 50.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(2-(dimethylamino)ethyl)methacrylamide
CID 83121
N,N'-1,2-Ethanediylbis[2-methyl-2-propenamide]
CID 10313529
N-[2-(diethylamino)ethyl]-2-methylprop-2-enamide
CID 3097420
2-methyl-N-[2-[2-methylprop-2-enoyl-[2-(2-methylprop-2-enoylamino)ethyl]amino]ethyl]prop-2-enamide
CID 9796598
Trimethyl-[2-(2-methylprop-2-enoylamino)ethyl]azanium
CID 9855812
N-ethyl-N-[2-(ethylamino)ethyl]-2-methylprop-2-enamide
CID 17948881
Triethyl-[2-(2-methylprop-2-enoylamino)ethyl]azanium
CID 18000449
N-[2-(butylamino)ethyl]-2-methylprop-2-enamide
CID 18325523
N-[2-(ethylamino)ethyl]-2-methylprop-2-enamide
CID 18325528
Dimethyl-[2-(2-methylprop-2-enoylamino)ethyl]azanium
CID 18325549
2-methyl-N-[2-(2-methylpropylamino)ethyl]prop-2-enamide
CID 18325556
2-methyl-N-[2-(propylamino)ethyl]prop-2-enamide
CID 18325580

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[2-[2-methylprop-2-enoyl-(2-methylprop-2-enoylamino)amino]ethyl]prop-2-enamide?
The IUPAC name of 2-methyl-N-[2-[2-methylprop-2-enoyl-(2-methylprop-2-enoylamino)amino]ethyl]prop-2-enamide (CID 139442568) is 2-methyl-N-[2-[2-methylprop-2-enoyl-(2-methylprop-2-enoylamino)amino]ethyl]prop-2-enamide.
What is the SMILES notation for 2-methyl-N-[2-[2-methylprop-2-enoyl-(2-methylprop-2-enoylamino)amino]ethyl]prop-2-enamide?
The canonical SMILES for 2-methyl-N-[2-[2-methylprop-2-enoyl-(2-methylprop-2-enoylamino)amino]ethyl]prop-2-enamide is C=C(C)C(=O)NCCN(NC(=O)C(=C)C)C(=O)C(=C)C.
What is the InChIKey of 2-methyl-N-[2-[2-methylprop-2-enoyl-(2-methylprop-2-enoylamino)amino]ethyl]prop-2-enamide?
The InChIKey is AASQMXNLCMQSAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O3/c1-9(2)12(18)15-7-8-17(14(20)11(5)6)16-13(19)10(3)4/h1,3,5,7-8H2,2,4,6H3,(H,15,18)(H,16,19).
What are the key properties of 2-methyl-N-[2-[2-methylprop-2-enoyl-(2-methylprop-2-enoylamino)amino]ethyl]prop-2-enamide?
2-methyl-N-[2-[2-methylprop-2-enoyl-(2-methylprop-2-enoylamino)amino]ethyl]prop-2-enamide has a molecular weight of 279.34 g/mol, XLogP of 0.69, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[2-[2-methylprop-2-enoyl-(2-methylprop-2-enoylamino)amino]ethyl]prop-2-enamide is sourced from PubChem (CID 139442568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).