2-[(1-methoxy-3-methylbutan-2-yl)amino]-N-pentan-3-ylpropanamide

C14H30N2O2 — CID 65049236

IUPAC2-[(1-methoxy-3-methylbutan-2-yl)amino]-N-pentan-3-ylpropanamide
SMILESCCC(CC)NC(=O)C(C)NC(COC)C(C)C
InChIInChI=1S/C14H30N2O2/c1-7-12(8-2)16-14(17)11(5)15-13(9-18-6)10(3)4/h10-13,15H,7-9H2,1-6H3,(H,16,17)
InChIKeyQNUJZESJMUMHMS-UHFFFAOYSA-N
MW258.41 g/mol
LogP1.94
Rot. Bonds9

About 2-[(1-methoxy-3-methylbutan-2-yl)amino]-N-pentan-3-ylpropanamide

2-[(1-methoxy-3-methylbutan-2-yl)amino]-N-pentan-3-ylpropanamide (PubChem CID 65049236) has the molecular formula C14H30N2O2 and a molecular weight of 258.41 g/mol. Its IUPAC name is 2-[(1-methoxy-3-methylbutan-2-yl)amino]-N-pentan-3-ylpropanamide.

Molecular Properties

Compound Name2-[(1-methoxy-3-methylbutan-2-yl)amino]-N-pentan-3-ylpropanamide
PubChem CID65049236
Molecular FormulaC14H30N2O2
Molecular Weight258.41 g/mol
Exact Mass258.23
IUPAC Name2-[(1-methoxy-3-methylbutan-2-yl)amino]-N-pentan-3-ylpropanamide
SMILESCCC(CC)NC(=O)C(C)NC(COC)C(C)C
InChIInChI=1S/C14H30N2O2/c1-7-12(8-2)16-14(17)11(5)15-13(9-18-6)10(3)4/h10-13,15H,7-9H2,1-6H3,(H,16,17)
InChIKeyQNUJZESJMUMHMS-UHFFFAOYSA-N
XLogP1.94
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.41
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N,N-diethyl-2-[(1-methoxy-3-methylbutan-2-yl)amino]propanamide
CID 65049413
3-methoxy-2-(2-methylpentan-3-ylcarbamoylamino)propanoic acid
CID 81085452
(2R)-2-amino-N-(1-methoxybutan-2-yl)-3-methylbutanamide
CID 79012417
2-bromo-N-(1-methoxy-3-methylbutan-2-yl)butanamide
CID 65047437
3-methoxy-2-[(1-methoxy-3-methylbutan-2-yl)amino]propanamide
CID 115929791
tert-butyl 2-[(1-methoxy-3-methylbutan-2-yl)amino]propanoate
CID 66337596
(2S)-2-[(1-methoxy-3-methylbutan-2-yl)carbamoylamino]propanoic acid
CID 65048182
methyl 2-[[1-oxo-1-(pentan-3-ylamino)propan-2-yl]amino]acetate
CID 43116573
N-(1-methoxy-3-methylbutan-2-yl)acetamide
CID 65053654
N-[(2S)-1-methoxy-3-methylbutan-2-yl]acetamide
CID 167034901
2-(ethoxyamino)-N-pentan-3-ylpropanamide
CID 60721530
3-hydroxy-4-[(1-methoxy-3-methylbutan-2-yl)amino]butanoic acid
CID 103254061

Frequently Asked Questions

What is the IUPAC name of 2-[(1-methoxy-3-methylbutan-2-yl)amino]-N-pentan-3-ylpropanamide?
The IUPAC name of 2-[(1-methoxy-3-methylbutan-2-yl)amino]-N-pentan-3-ylpropanamide (CID 65049236) is 2-[(1-methoxy-3-methylbutan-2-yl)amino]-N-pentan-3-ylpropanamide.
What is the SMILES notation for 2-[(1-methoxy-3-methylbutan-2-yl)amino]-N-pentan-3-ylpropanamide?
The canonical SMILES for 2-[(1-methoxy-3-methylbutan-2-yl)amino]-N-pentan-3-ylpropanamide is CCC(CC)NC(=O)C(C)NC(COC)C(C)C.
What is the InChIKey of 2-[(1-methoxy-3-methylbutan-2-yl)amino]-N-pentan-3-ylpropanamide?
The InChIKey is QNUJZESJMUMHMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N2O2/c1-7-12(8-2)16-14(17)11(5)15-13(9-18-6)10(3)4/h10-13,15H,7-9H2,1-6H3,(H,16,17).
What are the key properties of 2-[(1-methoxy-3-methylbutan-2-yl)amino]-N-pentan-3-ylpropanamide?
2-[(1-methoxy-3-methylbutan-2-yl)amino]-N-pentan-3-ylpropanamide has a molecular weight of 258.41 g/mol, XLogP of 1.94, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-methoxy-3-methylbutan-2-yl)amino]-N-pentan-3-ylpropanamide is sourced from PubChem (CID 65049236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).