(E)-N-[2-[prop-2-enoyl-[2-(prop-2-enoylamino)ethyl]amino]ethyl]but-2-enamide

C14H21N3O3 — CID 130311674

IUPAC(E)-N-[2-[prop-2-enoyl-[2-(prop-2-enoylamino)ethyl]amino]ethyl]but-2-enamide
SMILESC=CC(=O)NCCN(CCNC(=O)/C=C/C)C(=O)C=C
InChIInChI=1S/C14H21N3O3/c1-4-7-13(19)16-9-11-17(14(20)6-3)10-8-15-12(18)5-2/h4-7H,2-3,8-11H2,1H3,(H,15,18)(H,16,19)/b7-4+
InChIKeyOBFWUXLVSOIMIY-QPJJXVBHSA-N
MW279.34 g/mol
LogP-0.00
Rot. Bonds9

About (E)-N-[2-[prop-2-enoyl-[2-(prop-2-enoylamino)ethyl]amino]ethyl]but-2-enamide

(E)-N-[2-[prop-2-enoyl-[2-(prop-2-enoylamino)ethyl]amino]ethyl]but-2-enamide (PubChem CID 130311674) has the molecular formula C14H21N3O3 and a molecular weight of 279.34 g/mol. Its IUPAC name is (E)-N-[2-[prop-2-enoyl-[2-(prop-2-enoylamino)ethyl]amino]ethyl]but-2-enamide.

Molecular Properties

Compound Name(E)-N-[2-[prop-2-enoyl-[2-(prop-2-enoylamino)ethyl]amino]ethyl]but-2-enamide
PubChem CID130311674
Molecular FormulaC14H21N3O3
Molecular Weight279.34 g/mol
Exact Mass279.16
IUPAC Name(E)-N-[2-[prop-2-enoyl-[2-(prop-2-enoylamino)ethyl]amino]ethyl]but-2-enamide
SMILESC=CC(=O)NCCN(CCNC(=O)/C=C/C)C(=O)C=C
InChIInChI=1S/C14H21N3O3/c1-4-7-13(19)16-9-11-17(14(20)6-3)10-8-15-12(18)5-2/h4-7H,2-3,8-11H2,1H3,(H,15,18)(H,16,19)/b7-4+
InChIKeyOBFWUXLVSOIMIY-QPJJXVBHSA-N
XLogP-0.00
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 5-0.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (E)-N-[2-[prop-2-enoyl-[2-(prop-2-enoylamino)ethyl]amino]ethyl]but-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)-N-[2-[2-[[(E)-but-2-enoyl]amino]ethyl-[(3E)-penta-1,3-dien-2-yl]amino]ethyl]but-2-enamide
CID 135130002
N-[2-[ethyl(prop-2-enoyl)amino]ethyl]prop-2-enamide
CID 118586506
N-[2-(prop-2-enoylamino)ethyl]-3-[2-(prop-2-enoylamino)ethyl-[2-[prop-2-enoyl-[2-(prop-2-enoylamino)ethyl]amino]ethyl]amino]-N-[2-[prop-2-enoyl-[2-(prop-2-enoylamino)ethyl]amino]ethyl]propanamide
CID 154023788
N-[2-[2-[2-(aminomethylamino)ethyl-prop-2-enoylamino]ethylamino]ethyl]prop-2-enamide
CID 101368685
N-[2-[bis[2-(prop-2-enoylamino)ethyl]amino]ethyl]prop-2-enamide;propane
CID 144591761
N-[3-[2-(1-hydroxyprop-2-enylamino)ethyl-prop-2-enoylamino]propyl]prop-2-enamide
CID 134546818
N-[2-(dimethylamino)ethyl]prop-2-enamide;molecular hydrogen
CID 176682975
(E)-N-pent-4-enylbut-2-enamide
CID 122404178
N-[2-[2-hydroxyethyl(methyl)amino]ethyl]prop-2-enamide
CID 144591746
N-[2-[ethylidenecarbamoyl(methyl)amino]ethyl]prop-2-enamide
CID 141007643
N-[2-[2-[4-hydroxyhex-5-enyl(prop-2-enoyl)amino]ethyl-prop-2-enoylamino]ethyl]prop-2-enamide;N-[3-[4-[5-oxohept-6-enyl(prop-2-enoyl)amino]butyl-prop-2-enoylamino]propyl]prop-2-enamide;N-[2-[prop-2-enoyl-[2-(prop-2-enoylamino)ethyl]amino]ethyl]prop-2-enamide;N-[3-[prop-2-enoyl-[3-(prop-2-enoylamino)propyl]amino]propyl]prop-2-enamide
CID 157221292
N-(2-aminoethyl)prop-2-enamide;N,N-dimethylmethanamine;hydrochloride
CID 173056449

Frequently Asked Questions

What is the IUPAC name of (E)-N-[2-[prop-2-enoyl-[2-(prop-2-enoylamino)ethyl]amino]ethyl]but-2-enamide?
The IUPAC name of (E)-N-[2-[prop-2-enoyl-[2-(prop-2-enoylamino)ethyl]amino]ethyl]but-2-enamide (CID 130311674) is (E)-N-[2-[prop-2-enoyl-[2-(prop-2-enoylamino)ethyl]amino]ethyl]but-2-enamide.
What is the SMILES notation for (E)-N-[2-[prop-2-enoyl-[2-(prop-2-enoylamino)ethyl]amino]ethyl]but-2-enamide?
The canonical SMILES for (E)-N-[2-[prop-2-enoyl-[2-(prop-2-enoylamino)ethyl]amino]ethyl]but-2-enamide is C=CC(=O)NCCN(CCNC(=O)/C=C/C)C(=O)C=C.
What is the InChIKey of (E)-N-[2-[prop-2-enoyl-[2-(prop-2-enoylamino)ethyl]amino]ethyl]but-2-enamide?
The InChIKey is OBFWUXLVSOIMIY-QPJJXVBHSA-N. The full InChI is InChI=1S/C14H21N3O3/c1-4-7-13(19)16-9-11-17(14(20)6-3)10-8-15-12(18)5-2/h4-7H,2-3,8-11H2,1H3,(H,15,18)(H,16,19)/b7-4+.
What are the key properties of (E)-N-[2-[prop-2-enoyl-[2-(prop-2-enoylamino)ethyl]amino]ethyl]but-2-enamide?
(E)-N-[2-[prop-2-enoyl-[2-(prop-2-enoylamino)ethyl]amino]ethyl]but-2-enamide has a molecular weight of 279.34 g/mol, XLogP of -0.00, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[2-[prop-2-enoyl-[2-(prop-2-enoylamino)ethyl]amino]ethyl]but-2-enamide is sourced from PubChem (CID 130311674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).