N-[2-(diethylamino)ethyl]but-2-enamide

C10H20N2O — CID 54218541

IUPACN-[2-(diethylamino)ethyl]but-2-enamide
SMILESCC=CC(=O)NCCN(CC)CC
InChIInChI=1S/C10H20N2O/c1-4-7-10(13)11-8-9-12(5-2)6-3/h4,7H,5-6,8-9H2,1-3H3,(H,11,13)
InChIKeyQAWRUQMFCDCXAI-UHFFFAOYSA-N
MW184.28 g/mol
LogP1.02
Rot. Bonds6

About N-[2-(diethylamino)ethyl]but-2-enamide

N-[2-(diethylamino)ethyl]but-2-enamide (PubChem CID 54218541) has the molecular formula C10H20N2O and a molecular weight of 184.28 g/mol. Its IUPAC name is N-[2-(diethylamino)ethyl]but-2-enamide.

Molecular Properties

Compound NameN-[2-(diethylamino)ethyl]but-2-enamide
PubChem CID54218541
Molecular FormulaC10H20N2O
Molecular Weight184.28 g/mol
Exact Mass184.16
IUPAC NameN-[2-(diethylamino)ethyl]but-2-enamide
SMILESCC=CC(=O)NCCN(CC)CC
InChIInChI=1S/C10H20N2O/c1-4-7-10(13)11-8-9-12(5-2)6-3/h4,7H,5-6,8-9H2,1-3H3,(H,11,13)
InChIKeyQAWRUQMFCDCXAI-UHFFFAOYSA-N
XLogP1.02
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.28
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(Dimethylamino)ethyl]acrylamide
CID 70218
2-Propenamide, N,N'-1,2-ethanediylbis-
CID 168964
N,N-Dimethylaminopropyl acrylamide
CID 77452
N-(2-(Diethylamino)ethyl)-2-propenamide
CID 82750
Nigragillin
CID 71454343
N-Ethyl-2E,4E-hexadienamide
CID 11434990
(E)-4-(dimethylamino)-N-methylbut-2-enamide
CID 20813441
Ammonium, vinylenebis(carbonylimino)diethylenebis(trimethyl-, diiodide
CID 6434678
N-[2-(diethylamino)ethyl]acrylamide monohydrochloride
CID 3018509
1-(2,5-Dimethylpiperazin-1-yl)hexa-2,4-dien-1-one
CID 77052214
N-(2-aminoethyl)acrylamide
CID 152664
Trimethyl-[3-(prop-2-enoylamino)propyl]azanium
CID 156323

Frequently Asked Questions

What is the IUPAC name of N-[2-(diethylamino)ethyl]but-2-enamide?
The IUPAC name of N-[2-(diethylamino)ethyl]but-2-enamide (CID 54218541) is N-[2-(diethylamino)ethyl]but-2-enamide.
What is the SMILES notation for N-[2-(diethylamino)ethyl]but-2-enamide?
The canonical SMILES for N-[2-(diethylamino)ethyl]but-2-enamide is CC=CC(=O)NCCN(CC)CC.
What is the InChIKey of N-[2-(diethylamino)ethyl]but-2-enamide?
The InChIKey is QAWRUQMFCDCXAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O/c1-4-7-10(13)11-8-9-12(5-2)6-3/h4,7H,5-6,8-9H2,1-3H3,(H,11,13).
What are the key properties of N-[2-(diethylamino)ethyl]but-2-enamide?
N-[2-(diethylamino)ethyl]but-2-enamide has a molecular weight of 184.28 g/mol, XLogP of 1.02, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(diethylamino)ethyl]but-2-enamide is sourced from PubChem (CID 54218541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).