N-(2-but-3-enoxyethyl)-2-methyl-3-(methylamino)propanamide

C11H22N2O2 — CID 106398280

IUPACN-(2-but-3-enoxyethyl)-2-methyl-3-(methylamino)propanamide
SMILESC=CCCOCCNC(=O)C(C)CNC
InChIInChI=1S/C11H22N2O2/c1-4-5-7-15-8-6-13-11(14)10(2)9-12-3/h4,10,12H,1,5-9H2,2-3H3,(H,13,14)
InChIKeyIAMCUDNPTRUBKR-UHFFFAOYSA-N
MW214.31 g/mol
LogP0.55
Rot. Bonds9

About N-(2-but-3-enoxyethyl)-2-methyl-3-(methylamino)propanamide

N-(2-but-3-enoxyethyl)-2-methyl-3-(methylamino)propanamide (PubChem CID 106398280) has the molecular formula C11H22N2O2 and a molecular weight of 214.31 g/mol. Its IUPAC name is N-(2-but-3-enoxyethyl)-2-methyl-3-(methylamino)propanamide.

Molecular Properties

Compound NameN-(2-but-3-enoxyethyl)-2-methyl-3-(methylamino)propanamide
PubChem CID106398280
Molecular FormulaC11H22N2O2
Molecular Weight214.31 g/mol
Exact Mass214.17
IUPAC NameN-(2-but-3-enoxyethyl)-2-methyl-3-(methylamino)propanamide
SMILESC=CCCOCCNC(=O)C(C)CNC
InChIInChI=1S/C11H22N2O2/c1-4-5-7-15-8-6-13-11(14)10(2)9-12-3/h4,10,12H,1,5-9H2,2-3H3,(H,13,14)
InChIKeyIAMCUDNPTRUBKR-UHFFFAOYSA-N
XLogP0.55
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.31
LogP ≤ 50.55
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

(2R)-2-amino-N-(2-but-3-enoxyethyl)propanamide
CID 106398122
1-(2-but-3-enoxyethyl)-3-methylurea
CID 103852773
methyl 3-(2-but-3-enoxyethylamino)-2-methylpropanoate
CID 106401667
2-but-3-enoxyethylurea
CID 103852774
N-(2-but-3-enoxyethyl)-2,2-dimethylpropanamide
CID 103855692
2-acetamido-3-(2-but-3-enoxyethylamino)propanoic acid
CID 106402035
2-[(2-but-3-enoxyethylcarbamoylamino)methyl]-4-methylpentanoic acid
CID 106404779
2-amino-N-(2-but-3-enoxyethyl)-4-methylsulfonylbutanamide
CID 103950985
2-amino-N-(2-but-3-enoxyethyl)-3,3,3-trifluoro-2-methylpropanamide
CID 106398035
2-(2-but-3-enoxyethylcarbamoylamino)-5-methoxypentanoic acid
CID 106405069
3-amino-N-(2-but-3-enoxyethyl)-2-methyl-3-phenylpropanamide
CID 106398232
(2R)-2-(2-but-3-enoxyethylcarbamoylamino)-5-methoxy-5-oxopentanoic acid
CID 106404798

Frequently Asked Questions

What is the IUPAC name of N-(2-but-3-enoxyethyl)-2-methyl-3-(methylamino)propanamide?
The IUPAC name of N-(2-but-3-enoxyethyl)-2-methyl-3-(methylamino)propanamide (CID 106398280) is N-(2-but-3-enoxyethyl)-2-methyl-3-(methylamino)propanamide.
What is the SMILES notation for N-(2-but-3-enoxyethyl)-2-methyl-3-(methylamino)propanamide?
The canonical SMILES for N-(2-but-3-enoxyethyl)-2-methyl-3-(methylamino)propanamide is C=CCCOCCNC(=O)C(C)CNC.
What is the InChIKey of N-(2-but-3-enoxyethyl)-2-methyl-3-(methylamino)propanamide?
The InChIKey is IAMCUDNPTRUBKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O2/c1-4-5-7-15-8-6-13-11(14)10(2)9-12-3/h4,10,12H,1,5-9H2,2-3H3,(H,13,14).
What are the key properties of N-(2-but-3-enoxyethyl)-2-methyl-3-(methylamino)propanamide?
N-(2-but-3-enoxyethyl)-2-methyl-3-(methylamino)propanamide has a molecular weight of 214.31 g/mol, XLogP of 0.55, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-but-3-enoxyethyl)-2-methyl-3-(methylamino)propanamide is sourced from PubChem (CID 106398280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).