N-(1-amino-2,4-dimethylpentan-2-yl)-2-but-3-enoxypropanamide

C14H28N2O2 — CID 119600308

IUPACN-(1-amino-2,4-dimethylpentan-2-yl)-2-but-3-enoxypropanamide
SMILESC=CCCOC(C)C(=O)NC(C)(CN)CC(C)C
InChIInChI=1S/C14H28N2O2/c1-6-7-8-18-12(4)13(17)16-14(5,10-15)9-11(2)3/h6,11-12H,1,7-10,15H2,2-5H3,(H,16,17)
InChIKeyDITRBSATSBBKQG-UHFFFAOYSA-N
MW256.39 g/mol
LogP1.85
Rot. Bonds9

About N-(1-amino-2,4-dimethylpentan-2-yl)-2-but-3-enoxypropanamide

N-(1-amino-2,4-dimethylpentan-2-yl)-2-but-3-enoxypropanamide (PubChem CID 119600308) has the molecular formula C14H28N2O2 and a molecular weight of 256.39 g/mol. Its IUPAC name is N-(1-amino-2,4-dimethylpentan-2-yl)-2-but-3-enoxypropanamide.

Molecular Properties

Compound NameN-(1-amino-2,4-dimethylpentan-2-yl)-2-but-3-enoxypropanamide
PubChem CID119600308
Molecular FormulaC14H28N2O2
Molecular Weight256.39 g/mol
Exact Mass256.22
IUPAC NameN-(1-amino-2,4-dimethylpentan-2-yl)-2-but-3-enoxypropanamide
SMILESC=CCCOC(C)C(=O)NC(C)(CN)CC(C)C
InChIInChI=1S/C14H28N2O2/c1-6-7-8-18-12(4)13(17)16-14(5,10-15)9-11(2)3/h6,11-12H,1,7-10,15H2,2-5H3,(H,16,17)
InChIKeyDITRBSATSBBKQG-UHFFFAOYSA-N
XLogP1.85
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.39
LogP ≤ 51.85
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

N-(1-amino-2,4-dimethylpentan-2-yl)-2-propan-2-yloxyacetamide
CID 112701446
N-(1-amino-2,4-dimethylpentan-2-yl)-2-methoxypropanamide
CID 115737474
2-But-3-enoxy-1-[3-(methylaminomethyl)piperidin-1-yl]propan-1-one
CID 119398894
2-but-3-enoxy-N-(piperidin-3-ylmethyl)propanamide;hydrochloride
CID 119464564
2-but-3-enoxy-N-(piperidin-3-ylmethyl)propanamide
CID 119464565
N-(1-amino-2-methylpropan-2-yl)-2-but-3-enoxypropanamide;hydrochloride
CID 119525094
N-(1-amino-2-methylpropan-2-yl)-2-but-3-enoxypropanamide
CID 119525095
2-but-3-enoxy-N-(2-piperidin-3-ylethyl)propanamide
CID 119559426
N-[1-(aminomethyl)cyclopentyl]-2-but-3-enoxypropanamide;hydrochloride
CID 119568434
N-[1-(aminomethyl)cyclopentyl]-2-but-3-enoxypropanamide
CID 119568435
N-[3-(aminomethyl)pentan-3-yl]-2-but-3-enoxypropanamide;hydrochloride
CID 119572025
N-[3-(aminomethyl)pentan-3-yl]-2-but-3-enoxypropanamide
CID 119572026

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-2,4-dimethylpentan-2-yl)-2-but-3-enoxypropanamide?
The IUPAC name of N-(1-amino-2,4-dimethylpentan-2-yl)-2-but-3-enoxypropanamide (CID 119600308) is N-(1-amino-2,4-dimethylpentan-2-yl)-2-but-3-enoxypropanamide.
What is the SMILES notation for N-(1-amino-2,4-dimethylpentan-2-yl)-2-but-3-enoxypropanamide?
The canonical SMILES for N-(1-amino-2,4-dimethylpentan-2-yl)-2-but-3-enoxypropanamide is C=CCCOC(C)C(=O)NC(C)(CN)CC(C)C.
What is the InChIKey of N-(1-amino-2,4-dimethylpentan-2-yl)-2-but-3-enoxypropanamide?
The InChIKey is DITRBSATSBBKQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O2/c1-6-7-8-18-12(4)13(17)16-14(5,10-15)9-11(2)3/h6,11-12H,1,7-10,15H2,2-5H3,(H,16,17).
What are the key properties of N-(1-amino-2,4-dimethylpentan-2-yl)-2-but-3-enoxypropanamide?
N-(1-amino-2,4-dimethylpentan-2-yl)-2-but-3-enoxypropanamide has a molecular weight of 256.39 g/mol, XLogP of 1.85, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-2,4-dimethylpentan-2-yl)-2-but-3-enoxypropanamide is sourced from PubChem (CID 119600308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).