(E)-N'-ethyl-N,2-dimethylbut-2-enediamide

C8H14N2O2 — CID 87791357

IUPAC(E)-N'-ethyl-N,2-dimethylbut-2-enediamide
SMILESCCNC(=O)/C=C(\C)C(=O)NC
InChIInChI=1S/C8H14N2O2/c1-4-10-7(11)5-6(2)8(12)9-3/h5H,4H2,1-3H3,(H,9,12)(H,10,11)/b6-5+
InChIKeyRZPQDYYMALDNRO-AATRIKPKSA-N
MW170.21 g/mol
LogP-0.19
Rot. Bonds3

About (E)-N'-ethyl-N,2-dimethylbut-2-enediamide

(E)-N'-ethyl-N,2-dimethylbut-2-enediamide (PubChem CID 87791357) has the molecular formula C8H14N2O2 and a molecular weight of 170.21 g/mol. Its IUPAC name is (E)-N'-ethyl-N,2-dimethylbut-2-enediamide.

Molecular Properties

Compound Name(E)-N'-ethyl-N,2-dimethylbut-2-enediamide
PubChem CID87791357
Molecular FormulaC8H14N2O2
Molecular Weight170.21 g/mol
Exact Mass170.11
IUPAC Name(E)-N'-ethyl-N,2-dimethylbut-2-enediamide
SMILESCCNC(=O)/C=C(\C)C(=O)NC
InChIInChI=1S/C8H14N2O2/c1-4-10-7(11)5-6(2)8(12)9-3/h5H,4H2,1-3H3,(H,9,12)(H,10,11)/b6-5+
InChIKeyRZPQDYYMALDNRO-AATRIKPKSA-N
XLogP-0.19
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.21
LogP ≤ 5-0.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

methyl (E)-4-(ethylamino)-2-methyl-4-oxobut-2-enoate
CID 177013425
(Z)-3-chloro-N-ethylbut-2-enamide
CID 55286817
[4-(ethylamino)-1-(methylamino)-1-oxopent-3-en-2-ylidene]tungsten
CID 158891061
(E)-N,N'-diethylbut-2-enediamide
CID 22015135
(E)-N-ethyl-2-methylbut-2-enamide
CID 22451134
N-ethylprop-2-enamide;N-methylprop-2-enamide;2-methylprop-1-ene
CID 91512805
3,4-diamino-N-ethylbut-2-enamide;N-methylmethanamine
CID 173249574
(E)-N-ethyl-3-[[(E)-prop-1-enyl]amino]but-2-enamide
CID 143920336
N-ethylprop-2-enamide;N-methylmethanamine
CID 22381553
butane;(2E)-N,2-dimethylpenta-2,4-dienamide
CID 143504833
N,2-dimethylundec-2-enamide
CID 4562078
(E)-3-fluoro-N-methylbut-2-enamide
CID 118189831

Frequently Asked Questions

What is the IUPAC name of (E)-N'-ethyl-N,2-dimethylbut-2-enediamide?
The IUPAC name of (E)-N'-ethyl-N,2-dimethylbut-2-enediamide (CID 87791357) is (E)-N'-ethyl-N,2-dimethylbut-2-enediamide.
What is the SMILES notation for (E)-N'-ethyl-N,2-dimethylbut-2-enediamide?
The canonical SMILES for (E)-N'-ethyl-N,2-dimethylbut-2-enediamide is CCNC(=O)/C=C(\C)C(=O)NC.
What is the InChIKey of (E)-N'-ethyl-N,2-dimethylbut-2-enediamide?
The InChIKey is RZPQDYYMALDNRO-AATRIKPKSA-N. The full InChI is InChI=1S/C8H14N2O2/c1-4-10-7(11)5-6(2)8(12)9-3/h5H,4H2,1-3H3,(H,9,12)(H,10,11)/b6-5+.
What are the key properties of (E)-N'-ethyl-N,2-dimethylbut-2-enediamide?
(E)-N'-ethyl-N,2-dimethylbut-2-enediamide has a molecular weight of 170.21 g/mol, XLogP of -0.19, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N'-ethyl-N,2-dimethylbut-2-enediamide is sourced from PubChem (CID 87791357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).