2-(2-formamidoethyl)-N-methyl-N-(2-oxoethyl)hex-5-enamide

C12H20N2O3 — CID 165402108

IUPAC2-(2-formamidoethyl)-N-methyl-N-(2-oxoethyl)hex-5-enamide
SMILESC=CCCC(CCNC=O)C(=O)N(C)CC=O
InChIInChI=1S/C12H20N2O3/c1-3-4-5-11(6-7-13-10-16)12(17)14(2)8-9-15/h3,9-11H,1,4-8H2,2H3,(H,13,16)
InChIKeyUHXXUYFCCWTKGI-UHFFFAOYSA-N
MW240.30 g/mol
LogP0.36
Rot. Bonds10

About 2-(2-formamidoethyl)-N-methyl-N-(2-oxoethyl)hex-5-enamide

2-(2-formamidoethyl)-N-methyl-N-(2-oxoethyl)hex-5-enamide (PubChem CID 165402108) has the molecular formula C12H20N2O3 and a molecular weight of 240.30 g/mol. Its IUPAC name is 2-(2-formamidoethyl)-N-methyl-N-(2-oxoethyl)hex-5-enamide.

Molecular Properties

Compound Name2-(2-formamidoethyl)-N-methyl-N-(2-oxoethyl)hex-5-enamide
PubChem CID165402108
Molecular FormulaC12H20N2O3
Molecular Weight240.30 g/mol
Exact Mass240.15
IUPAC Name2-(2-formamidoethyl)-N-methyl-N-(2-oxoethyl)hex-5-enamide
SMILESC=CCCC(CCNC=O)C(=O)N(C)CC=O
InChIInChI=1S/C12H20N2O3/c1-3-4-5-11(6-7-13-10-16)12(17)14(2)8-9-15/h3,9-11H,1,4-8H2,2H3,(H,13,16)
InChIKeyUHXXUYFCCWTKGI-UHFFFAOYSA-N
XLogP0.36
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.30
LogP ≤ 50.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[6-[hexa-1,5-dien-2-yl(methyl)amino]hexyl]formamide
CID 155696813
N-(3-formamidopropyl)-N-methylprop-2-enamide
CID 141060601
N-methyl-2-(3-oxopropyl)pent-4-enamide
CID 142360160
4-but-3-enoylheptanedial
CID 173325048
2-(methoxymethyl)hex-5-enoic acid
CID 146545630
N-methyl-N-(2-oxoethyl)acetamide
CID 15885752
N-[(5S)-5-ethyl-6-oxoheptyl]formamide
CID 159837872
(2R,3S)-2,3-dihydroxy-N-methyl-N-prop-2-enylbutanamide
CID 143154091
N-(2-oxoethyl)-N-prop-2-enylacetamide
CID 19738524
ethyl 2-but-3-enylheptanoate
CID 141221895
2-but-3-enyldecanoic acid;sulfane
CID 174631215
(2S)-N,N,2-trimethylhept-6-enamide
CID 89146514

Frequently Asked Questions

What is the IUPAC name of 2-(2-formamidoethyl)-N-methyl-N-(2-oxoethyl)hex-5-enamide?
The IUPAC name of 2-(2-formamidoethyl)-N-methyl-N-(2-oxoethyl)hex-5-enamide (CID 165402108) is 2-(2-formamidoethyl)-N-methyl-N-(2-oxoethyl)hex-5-enamide.
What is the SMILES notation for 2-(2-formamidoethyl)-N-methyl-N-(2-oxoethyl)hex-5-enamide?
The canonical SMILES for 2-(2-formamidoethyl)-N-methyl-N-(2-oxoethyl)hex-5-enamide is C=CCCC(CCNC=O)C(=O)N(C)CC=O.
What is the InChIKey of 2-(2-formamidoethyl)-N-methyl-N-(2-oxoethyl)hex-5-enamide?
The InChIKey is UHXXUYFCCWTKGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O3/c1-3-4-5-11(6-7-13-10-16)12(17)14(2)8-9-15/h3,9-11H,1,4-8H2,2H3,(H,13,16).
What are the key properties of 2-(2-formamidoethyl)-N-methyl-N-(2-oxoethyl)hex-5-enamide?
2-(2-formamidoethyl)-N-methyl-N-(2-oxoethyl)hex-5-enamide has a molecular weight of 240.30 g/mol, XLogP of 0.36, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-formamidoethyl)-N-methyl-N-(2-oxoethyl)hex-5-enamide is sourced from PubChem (CID 165402108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).