N-(1-amino-4-methylpentan-2-yl)-2-butoxypropanamide

C13H28N2O2 — CID 119588291

IUPACN-(1-amino-4-methylpentan-2-yl)-2-butoxypropanamide
SMILESCCCCOC(C)C(=O)NC(CN)CC(C)C
InChIInChI=1S/C13H28N2O2/c1-5-6-7-17-11(4)13(16)15-12(9-14)8-10(2)3/h10-12H,5-9,14H2,1-4H3,(H,15,16)
InChIKeySKTIAJMGENPUDQ-UHFFFAOYSA-N
MW244.38 g/mol
LogP1.68
Rot. Bonds9

About N-(1-amino-4-methylpentan-2-yl)-2-butoxypropanamide

N-(1-amino-4-methylpentan-2-yl)-2-butoxypropanamide (PubChem CID 119588291) has the molecular formula C13H28N2O2 and a molecular weight of 244.38 g/mol. Its IUPAC name is N-(1-amino-4-methylpentan-2-yl)-2-butoxypropanamide.

Molecular Properties

Compound NameN-(1-amino-4-methylpentan-2-yl)-2-butoxypropanamide
PubChem CID119588291
Molecular FormulaC13H28N2O2
Molecular Weight244.38 g/mol
Exact Mass244.22
IUPAC NameN-(1-amino-4-methylpentan-2-yl)-2-butoxypropanamide
SMILESCCCCOC(C)C(=O)NC(CN)CC(C)C
InChIInChI=1S/C13H28N2O2/c1-5-6-7-17-11(4)13(16)15-12(9-14)8-10(2)3/h10-12H,5-9,14H2,1-4H3,(H,15,16)
InChIKeySKTIAJMGENPUDQ-UHFFFAOYSA-N
XLogP1.68
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.38
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(1-amino-4-methylpentan-2-yl)-2-but-3-enoxypropanamide
CID 119588761
N-(1-amino-4-methylpentan-2-yl)-2-ethylhexanamide
CID 55243513
(1-amino-4-methylpentan-2-yl)carbamic acid
CID 19820731
(2S,3S)-2-(2-butoxypropanoylamino)-3-methylpentanoic acid
CID 119194057
N-(1-amino-4-methylpentan-2-yl)-2-phenoxypropanamide
CID 119588476
ethyl N-[(2S)-1-amino-4-methylpentan-2-yl]carbamate
CID 39869686
ethyl N-(1-amino-4-methylpentan-2-yl)carbamate
CID 43810663
N-(1-amino-4-methylpentan-2-yl)-4-butoxy-3-methoxybenzamide;hydrochloride
CID 119587214
N-(1-amino-4-methylpentan-2-yl)-3,3,3-trifluoro-2-(trifluoromethyl)propanamide
CID 103310367
N-(1-amino-4-methylpentan-2-yl)-2-cycloheptyloxypropanamide;hydrochloride
CID 119587975
N-[(2S)-1-aminohexan-2-yl]-2,3-dimethylbutanamide
CID 171627931
N-(1-amino-4-methylpentan-2-yl)-2-methylsulfonylpropanamide
CID 115737405

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-4-methylpentan-2-yl)-2-butoxypropanamide?
The IUPAC name of N-(1-amino-4-methylpentan-2-yl)-2-butoxypropanamide (CID 119588291) is N-(1-amino-4-methylpentan-2-yl)-2-butoxypropanamide.
What is the SMILES notation for N-(1-amino-4-methylpentan-2-yl)-2-butoxypropanamide?
The canonical SMILES for N-(1-amino-4-methylpentan-2-yl)-2-butoxypropanamide is CCCCOC(C)C(=O)NC(CN)CC(C)C.
What is the InChIKey of N-(1-amino-4-methylpentan-2-yl)-2-butoxypropanamide?
The InChIKey is SKTIAJMGENPUDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2O2/c1-5-6-7-17-11(4)13(16)15-12(9-14)8-10(2)3/h10-12H,5-9,14H2,1-4H3,(H,15,16).
What are the key properties of N-(1-amino-4-methylpentan-2-yl)-2-butoxypropanamide?
N-(1-amino-4-methylpentan-2-yl)-2-butoxypropanamide has a molecular weight of 244.38 g/mol, XLogP of 1.68, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-4-methylpentan-2-yl)-2-butoxypropanamide is sourced from PubChem (CID 119588291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).