(E)-N-(2-formamidoethyl)-N-methylbut-2-enamide

C8H14N2O2 — CID 176580093

IUPAC(E)-N-(2-formamidoethyl)-N-methylbut-2-enamide
SMILESC/C=C/C(=O)N(C)CCNC=O
InChIInChI=1S/C8H14N2O2/c1-3-4-8(12)10(2)6-5-9-7-11/h3-4,7H,5-6H2,1-2H3,(H,9,11)/b4-3+
InChIKeyIPXJLSRCOZSOCZ-ONEGZZNKSA-N
MW170.21 g/mol
LogP-0.23
Rot. Bonds5

About (E)-N-(2-formamidoethyl)-N-methylbut-2-enamide

(E)-N-(2-formamidoethyl)-N-methylbut-2-enamide (PubChem CID 176580093) has the molecular formula C8H14N2O2 and a molecular weight of 170.21 g/mol. Its IUPAC name is (E)-N-(2-formamidoethyl)-N-methylbut-2-enamide.

Molecular Properties

Compound Name(E)-N-(2-formamidoethyl)-N-methylbut-2-enamide
PubChem CID176580093
Molecular FormulaC8H14N2O2
Molecular Weight170.21 g/mol
Exact Mass170.11
IUPAC Name(E)-N-(2-formamidoethyl)-N-methylbut-2-enamide
SMILESC/C=C/C(=O)N(C)CCNC=O
InChIInChI=1S/C8H14N2O2/c1-3-4-8(12)10(2)6-5-9-7-11/h3-4,7H,5-6H2,1-2H3,(H,9,11)/b4-3+
InChIKeyIPXJLSRCOZSOCZ-ONEGZZNKSA-N
XLogP-0.23
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.21
LogP ≤ 5-0.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(E)-N-methyl-N-(3-oxobutyl)but-2-enamide
CID 102410290
(Z)-N-(3-aminopropyl)-N-methylbut-2-enamide
CID 143271127
(Z)-N-ethyl-N-methylbut-2-enamide
CID 90437080
(E)-N-ethyl-N-methylbut-2-enamide
CID 88882032
N-(3-formamidopropyl)-N-methylprop-2-enamide
CID 141060601
4-[[(E)-but-2-enoyl]-methylamino]butanoic acid
CID 43151833
2-[but-2-enoyl(methyl)amino]acetic acid
CID 74314380
2-[2-formamidoethyl(methyl)amino]acetic acid
CID 118297504
N-methyl-N-(3-trimethoxysilylpropyl)but-2-enamide
CID 141245028
N-[2-(tert-butylamino)-2-oxoethyl]-N-methylbut-2-enamide
CID 112725202
(2E,4E)-N-[2-(dimethylamino)ethyl]-N-methylhexa-2,4-dienamide
CID 110481075
N-(2-aminoethyl)-N-methylhexa-2,4-dienamide
CID 76954139

Frequently Asked Questions

What is the IUPAC name of (E)-N-(2-formamidoethyl)-N-methylbut-2-enamide?
The IUPAC name of (E)-N-(2-formamidoethyl)-N-methylbut-2-enamide (CID 176580093) is (E)-N-(2-formamidoethyl)-N-methylbut-2-enamide.
What is the SMILES notation for (E)-N-(2-formamidoethyl)-N-methylbut-2-enamide?
The canonical SMILES for (E)-N-(2-formamidoethyl)-N-methylbut-2-enamide is C/C=C/C(=O)N(C)CCNC=O.
What is the InChIKey of (E)-N-(2-formamidoethyl)-N-methylbut-2-enamide?
The InChIKey is IPXJLSRCOZSOCZ-ONEGZZNKSA-N. The full InChI is InChI=1S/C8H14N2O2/c1-3-4-8(12)10(2)6-5-9-7-11/h3-4,7H,5-6H2,1-2H3,(H,9,11)/b4-3+.
What are the key properties of (E)-N-(2-formamidoethyl)-N-methylbut-2-enamide?
(E)-N-(2-formamidoethyl)-N-methylbut-2-enamide has a molecular weight of 170.21 g/mol, XLogP of -0.23, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(2-formamidoethyl)-N-methylbut-2-enamide is sourced from PubChem (CID 176580093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).