N-ethyl-N-(propan-2-ylidenecarbamoyl)prop-2-enamide

C9H14N2O2 — CID 155797660

IUPACN-ethyl-N-(propan-2-ylidenecarbamoyl)prop-2-enamide
SMILESC=CC(=O)N(CC)C(=O)N=C(C)C
InChIInChI=1S/C9H14N2O2/c1-5-8(12)11(6-2)9(13)10-7(3)4/h5H,1,6H2,2-4H3
InChIKeyNUYBCZSTPMXOCP-UHFFFAOYSA-N
MW182.22 g/mol
LogP1.62
Rot. Bonds2

About N-ethyl-N-(propan-2-ylidenecarbamoyl)prop-2-enamide

N-ethyl-N-(propan-2-ylidenecarbamoyl)prop-2-enamide (PubChem CID 155797660) has the molecular formula C9H14N2O2 and a molecular weight of 182.22 g/mol. Its IUPAC name is N-ethyl-N-(propan-2-ylidenecarbamoyl)prop-2-enamide.

Molecular Properties

Compound NameN-ethyl-N-(propan-2-ylidenecarbamoyl)prop-2-enamide
PubChem CID155797660
Molecular FormulaC9H14N2O2
Molecular Weight182.22 g/mol
Exact Mass182.11
IUPAC NameN-ethyl-N-(propan-2-ylidenecarbamoyl)prop-2-enamide
SMILESC=CC(=O)N(CC)C(=O)N=C(C)C
InChIInChI=1S/C9H14N2O2/c1-5-8(12)11(6-2)9(13)10-7(3)4/h5H,1,6H2,2-4H3
InChIKeyNUYBCZSTPMXOCP-UHFFFAOYSA-N
XLogP1.62
TPSA49.74 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.22
LogP ≤ 51.62
H-Bond Donors ≤ 50
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-ethyl-N-[1-[ethyl(prop-2-enoyl)amino]prop-1-enyl]prop-2-enamide
CID 87562000
N-(2-aminoacetyl)-N-ethylprop-2-enamide
CID 87561036
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-ethyl-N-sulfanylprop-2-enamide
CID 154365527
N,N-bis(ethylaminomethyl)prop-2-enamide
CID 23174711
N-ethyl-N-(2-oxoethyl)prop-2-enamide
CID 90459922
N-prop-2-enoyl-N-propylpropanamide
CID 143653418
N-ethyl-N',N'-bis(prop-2-enyl)prop-2-enehydrazide
CID 87932412
ethane;N-prop-2-enyl-N-propylprop-2-enamide
CID 143794226
N-[6-[di(prop-2-enoyl)amino]hexyl]-N-prop-2-enoylprop-2-enamide
CID 89189682
N-ethyl-N-[2-(methylamino)-2-oxoethyl]prop-2-enamide
CID 43616725

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-(propan-2-ylidenecarbamoyl)prop-2-enamide?
The IUPAC name of N-ethyl-N-(propan-2-ylidenecarbamoyl)prop-2-enamide (CID 155797660) is N-ethyl-N-(propan-2-ylidenecarbamoyl)prop-2-enamide.
What is the SMILES notation for N-ethyl-N-(propan-2-ylidenecarbamoyl)prop-2-enamide?
The canonical SMILES for N-ethyl-N-(propan-2-ylidenecarbamoyl)prop-2-enamide is C=CC(=O)N(CC)C(=O)N=C(C)C.
What is the InChIKey of N-ethyl-N-(propan-2-ylidenecarbamoyl)prop-2-enamide?
The InChIKey is NUYBCZSTPMXOCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O2/c1-5-8(12)11(6-2)9(13)10-7(3)4/h5H,1,6H2,2-4H3.
What are the key properties of N-ethyl-N-(propan-2-ylidenecarbamoyl)prop-2-enamide?
N-ethyl-N-(propan-2-ylidenecarbamoyl)prop-2-enamide has a molecular weight of 182.22 g/mol, XLogP of 1.62, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-(propan-2-ylidenecarbamoyl)prop-2-enamide is sourced from PubChem (CID 155797660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).