N-(1-amino-2-cyclopropylpropan-2-yl)-2-butoxypropanamide

C13H26N2O2 — CID 119575434

IUPACN-(1-amino-2-cyclopropylpropan-2-yl)-2-butoxypropanamide
SMILESCCCCOC(C)C(=O)NC(C)(CN)C1CC1
InChIInChI=1S/C13H26N2O2/c1-4-5-8-17-10(2)12(16)15-13(3,9-14)11-6-7-11/h10-11H,4-9,14H2,1-3H3,(H,15,16)
InChIKeyPQOKBBWGIDRYSF-UHFFFAOYSA-N
MW242.36 g/mol
LogP1.44
Rot. Bonds8

About N-(1-amino-2-cyclopropylpropan-2-yl)-2-butoxypropanamide

N-(1-amino-2-cyclopropylpropan-2-yl)-2-butoxypropanamide (PubChem CID 119575434) has the molecular formula C13H26N2O2 and a molecular weight of 242.36 g/mol. Its IUPAC name is N-(1-amino-2-cyclopropylpropan-2-yl)-2-butoxypropanamide.

Molecular Properties

Compound NameN-(1-amino-2-cyclopropylpropan-2-yl)-2-butoxypropanamide
PubChem CID119575434
Molecular FormulaC13H26N2O2
Molecular Weight242.36 g/mol
Exact Mass242.20
IUPAC NameN-(1-amino-2-cyclopropylpropan-2-yl)-2-butoxypropanamide
SMILESCCCCOC(C)C(=O)NC(C)(CN)C1CC1
InChIInChI=1S/C13H26N2O2/c1-4-5-8-17-10(2)12(16)15-13(3,9-14)11-6-7-11/h10-11H,4-9,14H2,1-3H3,(H,15,16)
InChIKeyPQOKBBWGIDRYSF-UHFFFAOYSA-N
XLogP1.44
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.36
LogP ≤ 51.44
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-2-methylpropan-2-yl)-2-butoxypropanamide;hydrochloride
CID 119524579
N-(1-amino-2-cyclopropylpropan-2-yl)-2-(oxolan-2-ylmethoxy)propanamide
CID 119574453
N-(1-amino-2-cyclopropylpropan-2-yl)-2-(4-methylphenoxy)propanamide
CID 119574218
N-(1-amino-2-cyclopropylpropan-2-yl)-2-cyclopropylpropanamide;hydrochloride
CID 119573506
N-(1-amino-2-cyclopropylpropan-2-yl)acetamide
CID 81486890
N-(1-amino-2-cyclopropylpropan-2-yl)-2-methyl-3-methylsulfanylpropanamide
CID 119573041
N-[1-[(1-amino-2-cyclopropylpropan-2-yl)amino]-1-oxopropan-2-yl]-2,2-dimethylpropanamide;hydrochloride
CID 119575220
N-(1-amino-2-cyclopropylpropan-2-yl)-3-(4-methylpentan-2-yloxy)propanamide
CID 119575565
N-(1-amino-2-cyclopropylpropan-2-yl)-2-(3-propan-2-ylphenoxy)propanamide
CID 119572861
N-(1-amino-2-cyclopropylpropan-2-yl)-3-cyclohexyl-2-methylpropanamide;hydrochloride
CID 119574532
N-(1-amino-2-cyclopropylpropan-2-yl)-3-methylhexanamide;hydrochloride
CID 119574117
N-(1-amino-2-cyclopropylpropan-2-yl)-2-(3-propan-2-ylphenoxy)propanamide;hydrochloride
CID 119572860

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-2-cyclopropylpropan-2-yl)-2-butoxypropanamide?
The IUPAC name of N-(1-amino-2-cyclopropylpropan-2-yl)-2-butoxypropanamide (CID 119575434) is N-(1-amino-2-cyclopropylpropan-2-yl)-2-butoxypropanamide.
What is the SMILES notation for N-(1-amino-2-cyclopropylpropan-2-yl)-2-butoxypropanamide?
The canonical SMILES for N-(1-amino-2-cyclopropylpropan-2-yl)-2-butoxypropanamide is CCCCOC(C)C(=O)NC(C)(CN)C1CC1.
What is the InChIKey of N-(1-amino-2-cyclopropylpropan-2-yl)-2-butoxypropanamide?
The InChIKey is PQOKBBWGIDRYSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O2/c1-4-5-8-17-10(2)12(16)15-13(3,9-14)11-6-7-11/h10-11H,4-9,14H2,1-3H3,(H,15,16).
What are the key properties of N-(1-amino-2-cyclopropylpropan-2-yl)-2-butoxypropanamide?
N-(1-amino-2-cyclopropylpropan-2-yl)-2-butoxypropanamide has a molecular weight of 242.36 g/mol, XLogP of 1.44, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-2-cyclopropylpropan-2-yl)-2-butoxypropanamide is sourced from PubChem (CID 119575434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).