2-[(3-methoxycyclobutyl)amino]-N-pentan-3-ylpropanamide

C13H26N2O2 — CID 104589297

IUPAC2-[(3-methoxycyclobutyl)amino]-N-pentan-3-ylpropanamide
SMILESCCC(CC)NC(=O)C(C)NC1CC(OC)C1
InChIInChI=1S/C13H26N2O2/c1-5-10(6-2)15-13(16)9(3)14-11-7-12(8-11)17-4/h9-12,14H,5-8H2,1-4H3,(H,15,16)
InChIKeyZNXDUZWSQRNCEM-UHFFFAOYSA-N
MW242.36 g/mol
LogP1.45
Rot. Bonds7

About 2-[(3-methoxycyclobutyl)amino]-N-pentan-3-ylpropanamide

2-[(3-methoxycyclobutyl)amino]-N-pentan-3-ylpropanamide (PubChem CID 104589297) has the molecular formula C13H26N2O2 and a molecular weight of 242.36 g/mol. Its IUPAC name is 2-[(3-methoxycyclobutyl)amino]-N-pentan-3-ylpropanamide.

Molecular Properties

Compound Name2-[(3-methoxycyclobutyl)amino]-N-pentan-3-ylpropanamide
PubChem CID104589297
Molecular FormulaC13H26N2O2
Molecular Weight242.36 g/mol
Exact Mass242.20
IUPAC Name2-[(3-methoxycyclobutyl)amino]-N-pentan-3-ylpropanamide
SMILESCCC(CC)NC(=O)C(C)NC1CC(OC)C1
InChIInChI=1S/C13H26N2O2/c1-5-10(6-2)15-13(16)9(3)14-11-7-12(8-11)17-4/h9-12,14H,5-8H2,1-4H3,(H,15,16)
InChIKeyZNXDUZWSQRNCEM-UHFFFAOYSA-N
XLogP1.45
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.36
LogP ≤ 51.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(3-methoxycyclobutyl)amino]-N-pentan-2-ylpropanamide
CID 113429969
(2R)-2-[(3-methoxycyclobutyl)amino]butan-1-ol
CID 104871999
2-[(1-oxothian-4-yl)amino]-N-pentan-3-ylpropanamide
CID 113479881
2-[(3-ethoxycyclobutyl)amino]-N-pentan-2-ylpropanamide
CID 102671072
2-[(6-oxopiperidin-3-yl)amino]-N-pentan-3-ylpropanamide
CID 63662471
2-[(3-methoxycyclopentyl)amino]-N-(2-methylbutan-2-yl)propanamide
CID 103080697
2-[(3-ethoxycyclobutyl)amino]-N-prop-2-ynylpropanamide
CID 102671061
(2S)-2-hydroxy-N-(3-methoxycyclobutyl)propanamide
CID 131069206
methyl 2-[[1-oxo-1-(pentan-3-ylamino)propan-2-yl]amino]acetate
CID 43116573
2-cyclopropyl-2-[(3-methoxycyclobutyl)amino]acetic acid
CID 106824322
2-[[1-(hydroxymethyl)cyclopropyl]methylamino]-N-pentan-3-ylpropanamide
CID 113313239
2-(ethoxyamino)-N-pentan-3-ylpropanamide
CID 60721530

Frequently Asked Questions

What is the IUPAC name of 2-[(3-methoxycyclobutyl)amino]-N-pentan-3-ylpropanamide?
The IUPAC name of 2-[(3-methoxycyclobutyl)amino]-N-pentan-3-ylpropanamide (CID 104589297) is 2-[(3-methoxycyclobutyl)amino]-N-pentan-3-ylpropanamide.
What is the SMILES notation for 2-[(3-methoxycyclobutyl)amino]-N-pentan-3-ylpropanamide?
The canonical SMILES for 2-[(3-methoxycyclobutyl)amino]-N-pentan-3-ylpropanamide is CCC(CC)NC(=O)C(C)NC1CC(OC)C1.
What is the InChIKey of 2-[(3-methoxycyclobutyl)amino]-N-pentan-3-ylpropanamide?
The InChIKey is ZNXDUZWSQRNCEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O2/c1-5-10(6-2)15-13(16)9(3)14-11-7-12(8-11)17-4/h9-12,14H,5-8H2,1-4H3,(H,15,16).
What are the key properties of 2-[(3-methoxycyclobutyl)amino]-N-pentan-3-ylpropanamide?
2-[(3-methoxycyclobutyl)amino]-N-pentan-3-ylpropanamide has a molecular weight of 242.36 g/mol, XLogP of 1.45, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-methoxycyclobutyl)amino]-N-pentan-3-ylpropanamide is sourced from PubChem (CID 104589297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).