N-butan-2-yl-2-[(4-methoxy-2,2-dimethylbutyl)amino]propanamide

C14H30N2O2 — CID 104624297

IUPACN-butan-2-yl-2-[(4-methoxy-2,2-dimethylbutyl)amino]propanamide
SMILESCCC(C)NC(=O)C(C)NCC(C)(C)CCOC
InChIInChI=1S/C14H30N2O2/c1-7-11(2)16-13(17)12(3)15-10-14(4,5)8-9-18-6/h11-12,15H,7-10H2,1-6H3,(H,16,17)
InChIKeyMFPAPVKOCGKKLI-UHFFFAOYSA-N
MW258.41 g/mol
LogP1.94
Rot. Bonds9

About N-butan-2-yl-2-[(4-methoxy-2,2-dimethylbutyl)amino]propanamide

N-butan-2-yl-2-[(4-methoxy-2,2-dimethylbutyl)amino]propanamide (PubChem CID 104624297) has the molecular formula C14H30N2O2 and a molecular weight of 258.41 g/mol. Its IUPAC name is N-butan-2-yl-2-[(4-methoxy-2,2-dimethylbutyl)amino]propanamide.

Molecular Properties

Compound NameN-butan-2-yl-2-[(4-methoxy-2,2-dimethylbutyl)amino]propanamide
PubChem CID104624297
Molecular FormulaC14H30N2O2
Molecular Weight258.41 g/mol
Exact Mass258.23
IUPAC NameN-butan-2-yl-2-[(4-methoxy-2,2-dimethylbutyl)amino]propanamide
SMILESCCC(C)NC(=O)C(C)NCC(C)(C)CCOC
InChIInChI=1S/C14H30N2O2/c1-7-11(2)16-13(17)12(3)15-10-14(4,5)8-9-18-6/h11-12,15H,7-10H2,1-6H3,(H,16,17)
InChIKeyMFPAPVKOCGKKLI-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-butan-2-yl-2-[(2-methoxy-2-methylpropyl)amino]propanamide
CID 115664072
2-[[2-(butan-2-ylamino)-2-oxoethyl]amino]-N-(2-methoxyethyl)propanamide
CID 113407011
N-butan-2-yl-2-[[1-(2-methoxyethyl)cyclopropyl]methylamino]propanamide
CID 114112877
N-butan-2-yl-2-[(3-hydroxy-4-methoxybutyl)amino]propanamide
CID 114163587
N-butan-2-yl-2-[[2-(2-methoxyethylamino)acetyl]amino]propanamide;hydrochloride
CID 119756312
2-[(4-methoxy-2,2-dimethylbutyl)amino]-1-morpholin-4-ylpropan-1-one
CID 104624292
N-butan-2-yl-2-(2-methylpropylamino)propanamide
CID 43113054
2-[(4-hydroxy-2,2-dimethylbutyl)amino]-N-propylpropanamide
CID 106146607
2-[(2-methoxy-2-methylpropyl)amino]-N-pentan-3-ylpropanamide
CID 115664073
2-[(2-hydroxy-4-methoxy-2-methylbutyl)amino]-N-prop-2-enylpropanamide
CID 114164663
N-butan-2-yl-2-(2-methoxyethoxy)acetamide
CID 60650985
(2S)-N-butan-2-yl-2-(methylamino)propanamide
CID 130563801

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-2-[(4-methoxy-2,2-dimethylbutyl)amino]propanamide?
The IUPAC name of N-butan-2-yl-2-[(4-methoxy-2,2-dimethylbutyl)amino]propanamide (CID 104624297) is N-butan-2-yl-2-[(4-methoxy-2,2-dimethylbutyl)amino]propanamide.
What is the SMILES notation for N-butan-2-yl-2-[(4-methoxy-2,2-dimethylbutyl)amino]propanamide?
The canonical SMILES for N-butan-2-yl-2-[(4-methoxy-2,2-dimethylbutyl)amino]propanamide is CCC(C)NC(=O)C(C)NCC(C)(C)CCOC.
What is the InChIKey of N-butan-2-yl-2-[(4-methoxy-2,2-dimethylbutyl)amino]propanamide?
The InChIKey is MFPAPVKOCGKKLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N2O2/c1-7-11(2)16-13(17)12(3)15-10-14(4,5)8-9-18-6/h11-12,15H,7-10H2,1-6H3,(H,16,17).
What are the key properties of N-butan-2-yl-2-[(4-methoxy-2,2-dimethylbutyl)amino]propanamide?
N-butan-2-yl-2-[(4-methoxy-2,2-dimethylbutyl)amino]propanamide 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 N-butan-2-yl-2-[(4-methoxy-2,2-dimethylbutyl)amino]propanamide is sourced from PubChem (CID 104624297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).