3-(2-but-3-enoxyethylamino)butanamide

C10H20N2O2 — CID 115896708

IUPAC3-(2-but-3-enoxyethylamino)butanamide
SMILESC=CCCOCCNC(C)CC(N)=O
InChIInChI=1S/C10H20N2O2/c1-3-4-6-14-7-5-12-9(2)8-10(11)13/h3,9,12H,1,4-8H2,2H3,(H2,11,13)
InChIKeyCVMHYOVCYSWIHE-UHFFFAOYSA-N
MW200.28 g/mol
LogP0.43
Rot. Bonds9

About 3-(2-but-3-enoxyethylamino)butanamide

3-(2-but-3-enoxyethylamino)butanamide (PubChem CID 115896708) has the molecular formula C10H20N2O2 and a molecular weight of 200.28 g/mol. Its IUPAC name is 3-(2-but-3-enoxyethylamino)butanamide.

Molecular Properties

Compound Name3-(2-but-3-enoxyethylamino)butanamide
PubChem CID115896708
Molecular FormulaC10H20N2O2
Molecular Weight200.28 g/mol
Exact Mass200.15
IUPAC Name3-(2-but-3-enoxyethylamino)butanamide
SMILESC=CCCOCCNC(C)CC(N)=O
InChIInChI=1S/C10H20N2O2/c1-3-4-6-14-7-5-12-9(2)8-10(11)13/h3,9,12H,1,4-8H2,2H3,(H2,11,13)
InChIKeyCVMHYOVCYSWIHE-UHFFFAOYSA-N
XLogP0.43
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.28
LogP ≤ 50.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

ethyl 3-(2-but-3-enoxyethylamino)butanoate
CID 106401724
methyl 3-(2-but-3-enoxyethylamino)butanoate
CID 103952227
3-(2-propoxyethylamino)butanamide
CID 106452583
tert-butyl N-[2-(2-but-3-enoxyethylamino)propyl]carbamate
CID 106396997
N-(2-but-3-enoxyethyl)-4-methoxybutan-2-amine
CID 103852873
(2R)-2-amino-N-(2-but-3-enoxyethyl)propanamide
CID 106398122
methyl 3-(2-but-3-enoxyethylamino)-2-methylpropanoate
CID 106401667
3-(2-but-3-enoxyethylamino)butan-2-ol
CID 106401424
2-but-3-enoxyethylurea
CID 103852774
2-(2-but-3-enoxyethylamino)-N,N-diethylpropanamide
CID 103852838
3-(propylamino)butanamide
CID 54855476
N-(2-but-3-enoxyethyl)-2-methyl-3-(methylamino)propanamide
CID 106398280

Frequently Asked Questions

What is the IUPAC name of 3-(2-but-3-enoxyethylamino)butanamide?
The IUPAC name of 3-(2-but-3-enoxyethylamino)butanamide (CID 115896708) is 3-(2-but-3-enoxyethylamino)butanamide.
What is the SMILES notation for 3-(2-but-3-enoxyethylamino)butanamide?
The canonical SMILES for 3-(2-but-3-enoxyethylamino)butanamide is C=CCCOCCNC(C)CC(N)=O.
What is the InChIKey of 3-(2-but-3-enoxyethylamino)butanamide?
The InChIKey is CVMHYOVCYSWIHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O2/c1-3-4-6-14-7-5-12-9(2)8-10(11)13/h3,9,12H,1,4-8H2,2H3,(H2,11,13).
What are the key properties of 3-(2-but-3-enoxyethylamino)butanamide?
3-(2-but-3-enoxyethylamino)butanamide has a molecular weight of 200.28 g/mol, XLogP of 0.43, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-but-3-enoxyethylamino)butanamide is sourced from PubChem (CID 115896708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).