N-[2-[ethylidenecarbamoyl(methyl)amino]ethyl]prop-2-enamide

C9H15N3O2 — CID 141007643

IUPACN-[2-[ethylidenecarbamoyl(methyl)amino]ethyl]prop-2-enamide
SMILESC=CC(=O)NCCN(C)C(=O)N=CC
InChIInChI=1S/C9H15N3O2/c1-4-8(13)11-6-7-12(3)9(14)10-5-2/h4-5H,1,6-7H2,2-3H3,(H,11,13)
InChIKeyFZHHWOVNMVSDFJ-UHFFFAOYSA-N
MW197.24 g/mol
LogP0.43
Rot. Bonds4

About N-[2-[ethylidenecarbamoyl(methyl)amino]ethyl]prop-2-enamide

N-[2-[ethylidenecarbamoyl(methyl)amino]ethyl]prop-2-enamide (PubChem CID 141007643) has the molecular formula C9H15N3O2 and a molecular weight of 197.24 g/mol. Its IUPAC name is N-[2-[ethylidenecarbamoyl(methyl)amino]ethyl]prop-2-enamide.

Molecular Properties

Compound NameN-[2-[ethylidenecarbamoyl(methyl)amino]ethyl]prop-2-enamide
PubChem CID141007643
Molecular FormulaC9H15N3O2
Molecular Weight197.24 g/mol
Exact Mass197.12
IUPAC NameN-[2-[ethylidenecarbamoyl(methyl)amino]ethyl]prop-2-enamide
SMILESC=CC(=O)NCCN(C)C(=O)N=CC
InChIInChI=1S/C9H15N3O2/c1-4-8(13)11-6-7-12(3)9(14)10-5-2/h4-5H,1,6-7H2,2-3H3,(H,11,13)
InChIKeyFZHHWOVNMVSDFJ-UHFFFAOYSA-N
XLogP0.43
TPSA61.77 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.24
LogP ≤ 50.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

N-[2-[[(E)-ethylidenecarbamoyl]amino]ethyl]prop-2-enamide
CID 141139350
N-[2-(dimethylamino)ethyl]prop-2-enamide;molecular hydrogen
CID 176682975
N-[2-[bis[2-(prop-2-enoylamino)ethyl]amino]ethyl]prop-2-enamide;propane
CID 144591761
N-[2-[2-hydroxyethyl(methyl)amino]ethyl]prop-2-enamide
CID 144591746
N,N-dimethyl-3-(prop-2-enoylamino)propanamide
CID 19971020
N-(2-aminoethyl)prop-2-enamide;N,N-dimethylmethanamine;hydrochloride
CID 173056449
N-[2-[ethyl(prop-2-enoyl)amino]ethyl]prop-2-enamide
CID 118586506
N,N-dimethylmethanamine;N-propylprop-2-enamide;hydrochloride
CID 173003472
(E)-N-[2-[prop-2-enoyl-[2-(prop-2-enoylamino)ethyl]amino]ethyl]but-2-enamide
CID 130311674
[2-[2-[ethylidenecarbamoyl(methyl)amino]ethoxy]-2-oxoethyl] prop-2-enoate
CID 141109880
1-ethenyl-1-ethyl-3-ethylideneurea
CID 141081531
N-[4-(prop-2-enoylamino)butyl]prop-2-enamide
CID 11542941

Frequently Asked Questions

What is the IUPAC name of N-[2-[ethylidenecarbamoyl(methyl)amino]ethyl]prop-2-enamide?
The IUPAC name of N-[2-[ethylidenecarbamoyl(methyl)amino]ethyl]prop-2-enamide (CID 141007643) is N-[2-[ethylidenecarbamoyl(methyl)amino]ethyl]prop-2-enamide.
What is the SMILES notation for N-[2-[ethylidenecarbamoyl(methyl)amino]ethyl]prop-2-enamide?
The canonical SMILES for N-[2-[ethylidenecarbamoyl(methyl)amino]ethyl]prop-2-enamide is C=CC(=O)NCCN(C)C(=O)N=CC.
What is the InChIKey of N-[2-[ethylidenecarbamoyl(methyl)amino]ethyl]prop-2-enamide?
The InChIKey is FZHHWOVNMVSDFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O2/c1-4-8(13)11-6-7-12(3)9(14)10-5-2/h4-5H,1,6-7H2,2-3H3,(H,11,13).
What are the key properties of N-[2-[ethylidenecarbamoyl(methyl)amino]ethyl]prop-2-enamide?
N-[2-[ethylidenecarbamoyl(methyl)amino]ethyl]prop-2-enamide has a molecular weight of 197.24 g/mol, XLogP of 0.43, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[ethylidenecarbamoyl(methyl)amino]ethyl]prop-2-enamide is sourced from PubChem (CID 141007643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).