3-[(3-methoxycyclobutyl)amino]-N-(2-methylpropyl)propanamide

C12H24N2O2 — CID 106821612

IUPAC3-[(3-methoxycyclobutyl)amino]-N-(2-methylpropyl)propanamide
SMILESCOC1CC(NCCC(=O)NCC(C)C)C1
InChIInChI=1S/C12H24N2O2/c1-9(2)8-14-12(15)4-5-13-10-6-11(7-10)16-3/h9-11,13H,4-8H2,1-3H3,(H,14,15)
InChIKeyPNQGWENPCVJZPZ-UHFFFAOYSA-N
MW228.34 g/mol
LogP0.92
Rot. Bonds7

About 3-[(3-methoxycyclobutyl)amino]-N-(2-methylpropyl)propanamide

3-[(3-methoxycyclobutyl)amino]-N-(2-methylpropyl)propanamide (PubChem CID 106821612) has the molecular formula C12H24N2O2 and a molecular weight of 228.34 g/mol. Its IUPAC name is 3-[(3-methoxycyclobutyl)amino]-N-(2-methylpropyl)propanamide.

Molecular Properties

Compound Name3-[(3-methoxycyclobutyl)amino]-N-(2-methylpropyl)propanamide
PubChem CID106821612
Molecular FormulaC12H24N2O2
Molecular Weight228.34 g/mol
Exact Mass228.18
IUPAC Name3-[(3-methoxycyclobutyl)amino]-N-(2-methylpropyl)propanamide
SMILESCOC1CC(NCCC(=O)NCC(C)C)C1
InChIInChI=1S/C12H24N2O2/c1-9(2)8-14-12(15)4-5-13-10-6-11(7-10)16-3/h9-11,13H,4-8H2,1-3H3,(H,14,15)
InChIKeyPNQGWENPCVJZPZ-UHFFFAOYSA-N
XLogP0.92
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.34
LogP ≤ 50.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(3-aminocyclohexyl)amino]-N-(2-methylpropyl)propanamide
CID 113409721
2-[[3-(2-methylpropylamino)-3-oxopropyl]amino]cyclobutane-1-carboxylic acid
CID 103263385
2-[(3-methoxycyclobutyl)amino]-N-(2-methoxyethyl)acetamide
CID 104872016
3-(ethylamino)-N-(2-methylpropyl)propanamide
CID 62832271
2-[(3-methoxycyclobutyl)amino]ethanesulfonamide
CID 106821299
3-(cyclopropylamino)-N-(4-methylpentyl)propanamide
CID 61043178
tert-butyl N-[2-[(3-methoxycyclobutyl)amino]ethyl]-N-propan-2-ylcarbamate
CID 107246003
N-(2-methylpropyl)-3-(2-methylpropylcarbamothioylamino)propanamide
CID 116510044
3-methoxy-N-(2-methylpropyl)azetidine-1-carboxamide
CID 170110889
3-[3-(2-aminoethoxy)propanoylamino]-N-(2-methylpropyl)propanamide
CID 112739075
3-(cyclopropylamino)-N-(2-propan-2-yloxyethyl)propanamide
CID 104761100
N-(3-methoxycyclobutyl)-4-oxopentanamide
CID 104600930

Frequently Asked Questions

What is the IUPAC name of 3-[(3-methoxycyclobutyl)amino]-N-(2-methylpropyl)propanamide?
The IUPAC name of 3-[(3-methoxycyclobutyl)amino]-N-(2-methylpropyl)propanamide (CID 106821612) is 3-[(3-methoxycyclobutyl)amino]-N-(2-methylpropyl)propanamide.
What is the SMILES notation for 3-[(3-methoxycyclobutyl)amino]-N-(2-methylpropyl)propanamide?
The canonical SMILES for 3-[(3-methoxycyclobutyl)amino]-N-(2-methylpropyl)propanamide is COC1CC(NCCC(=O)NCC(C)C)C1.
What is the InChIKey of 3-[(3-methoxycyclobutyl)amino]-N-(2-methylpropyl)propanamide?
The InChIKey is PNQGWENPCVJZPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O2/c1-9(2)8-14-12(15)4-5-13-10-6-11(7-10)16-3/h9-11,13H,4-8H2,1-3H3,(H,14,15).
What are the key properties of 3-[(3-methoxycyclobutyl)amino]-N-(2-methylpropyl)propanamide?
3-[(3-methoxycyclobutyl)amino]-N-(2-methylpropyl)propanamide has a molecular weight of 228.34 g/mol, XLogP of 0.92, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-methoxycyclobutyl)amino]-N-(2-methylpropyl)propanamide is sourced from PubChem (CID 106821612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).