N-(2-aminoacetyl)-N-ethylprop-2-enamide

C7H12N2O2 — CID 87561036

IUPACN-(2-aminoacetyl)-N-ethylprop-2-enamide
SMILESC=CC(=O)N(CC)C(=O)CN
InChIInChI=1S/C7H12N2O2/c1-3-6(10)9(4-2)7(11)5-8/h3H,1,4-5,8H2,2H3
InChIKeyBFVVKXASPVPUJE-UHFFFAOYSA-N
MW156.19 g/mol
LogP-0.49
Rot. Bonds3

About N-(2-aminoacetyl)-N-ethylprop-2-enamide

N-(2-aminoacetyl)-N-ethylprop-2-enamide (PubChem CID 87561036) has the molecular formula C7H12N2O2 and a molecular weight of 156.19 g/mol. Its IUPAC name is N-(2-aminoacetyl)-N-ethylprop-2-enamide.

Molecular Properties

Compound NameN-(2-aminoacetyl)-N-ethylprop-2-enamide
PubChem CID87561036
Molecular FormulaC7H12N2O2
Molecular Weight156.19 g/mol
Exact Mass156.09
IUPAC NameN-(2-aminoacetyl)-N-ethylprop-2-enamide
SMILESC=CC(=O)N(CC)C(=O)CN
InChIInChI=1S/C7H12N2O2/c1-3-6(10)9(4-2)7(11)5-8/h3H,1,4-5,8H2,2H3
InChIKeyBFVVKXASPVPUJE-UHFFFAOYSA-N
XLogP-0.49
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.19
LogP ≤ 5-0.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-ethyl-N-[1-[ethyl(prop-2-enoyl)amino]prop-1-enyl]prop-2-enamide
CID 87562000
N-ethyl-N-(propan-2-ylidenecarbamoyl)prop-2-enamide
CID 155797660
N-prop-2-enoyl-N-propylpropanamide
CID 143653418
N-[2-[di(prop-2-enoyl)amino]ethyl]-N-prop-2-enoylprop-2-enamide
CID 90960823
N-ethyl-N-hydroxyprop-2-enamide
CID 19022461
N-butyl-N-carbamoylprop-2-enamide
CID 22435582
N-ethyl-N-sulfanylprop-2-enamide
CID 154365527
N-[6-[di(prop-2-enoyl)amino]hexyl]-N-prop-2-enoylprop-2-enamide
CID 89189682
N,N-diethylprop-2-enamide;ethyl prop-2-enoate;prop-2-enoic acid
CID 118451441
N-ethyl-N-(2-oxoethyl)prop-2-enamide
CID 90459922
N-cyclopropyl-N-ethylprop-2-enamide
CID 43616584
N,N-bis(ethylaminomethyl)prop-2-enamide
CID 23174711

Frequently Asked Questions

What is the IUPAC name of N-(2-aminoacetyl)-N-ethylprop-2-enamide?
The IUPAC name of N-(2-aminoacetyl)-N-ethylprop-2-enamide (CID 87561036) is N-(2-aminoacetyl)-N-ethylprop-2-enamide.
What is the SMILES notation for N-(2-aminoacetyl)-N-ethylprop-2-enamide?
The canonical SMILES for N-(2-aminoacetyl)-N-ethylprop-2-enamide is C=CC(=O)N(CC)C(=O)CN.
What is the InChIKey of N-(2-aminoacetyl)-N-ethylprop-2-enamide?
The InChIKey is BFVVKXASPVPUJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2O2/c1-3-6(10)9(4-2)7(11)5-8/h3H,1,4-5,8H2,2H3.
What are the key properties of N-(2-aminoacetyl)-N-ethylprop-2-enamide?
N-(2-aminoacetyl)-N-ethylprop-2-enamide has a molecular weight of 156.19 g/mol, XLogP of -0.49, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoacetyl)-N-ethylprop-2-enamide is sourced from PubChem (CID 87561036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).