N-cyclobutyl-N-(2-hydroxyethyl)-4-(methylamino)butanamide

C11H22N2O2 — CID 102862127

IUPACN-cyclobutyl-N-(2-hydroxyethyl)-4-(methylamino)butanamide
SMILESCNCCCC(=O)N(CCO)C1CCC1
InChIInChI=1S/C11H22N2O2/c1-12-7-3-6-11(15)13(8-9-14)10-4-2-5-10/h10,12,14H,2-9H2,1H3
InChIKeyXEHMEHXBYVISPX-UHFFFAOYSA-N
MW214.31 g/mol
LogP0.36
Rot. Bonds7

About N-cyclobutyl-N-(2-hydroxyethyl)-4-(methylamino)butanamide

N-cyclobutyl-N-(2-hydroxyethyl)-4-(methylamino)butanamide (PubChem CID 102862127) has the molecular formula C11H22N2O2 and a molecular weight of 214.31 g/mol. Its IUPAC name is N-cyclobutyl-N-(2-hydroxyethyl)-4-(methylamino)butanamide.

Molecular Properties

Compound NameN-cyclobutyl-N-(2-hydroxyethyl)-4-(methylamino)butanamide
PubChem CID102862127
Molecular FormulaC11H22N2O2
Molecular Weight214.31 g/mol
Exact Mass214.17
IUPAC NameN-cyclobutyl-N-(2-hydroxyethyl)-4-(methylamino)butanamide
SMILESCNCCCC(=O)N(CCO)C1CCC1
InChIInChI=1S/C11H22N2O2/c1-12-7-3-6-11(15)13(8-9-14)10-4-2-5-10/h10,12,14H,2-9H2,1H3
InChIKeyXEHMEHXBYVISPX-UHFFFAOYSA-N
XLogP0.36
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.31
LogP ≤ 50.36
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-cyclopentyl-N-(2-hydroxyethyl)-4-(methylamino)butanamide
CID 60953691
N-cyclobutyl-N-(2-hydroxyethyl)-3-(propan-2-ylamino)propanamide
CID 102862058
N-cyclopentyl-N-(2-hydroxyethyl)-3-(propan-2-ylamino)propanamide
CID 60953799
5-chloro-N-cyclobutyl-N-(2-hydroxyethyl)pentanamide
CID 102861187
N-cyclobutyl-3-(cyclopropylamino)-N-(2-hydroxyethyl)propanamide
CID 102862128
6-[cyclohexyl(2-hydroxyethyl)amino]-6-oxohexanoic acid
CID 54875131
3-bromo-N-cyclobutyl-N-(2-hydroxyethyl)propanamide
CID 102861214
N-cyclopentyl-N-(2-hydroxyethyl)-3-oxobutanamide
CID 60952245
5-[cyclopropyl(2-hydroxyethyl)amino]-5-oxopentanoic acid
CID 43578459
N-cyclopropyl-N-methyl-4-(methylamino)butanamide
CID 60842400
N-cyclopentyl-N-(2-hydroxyethyl)-3-sulfanylpropanamide
CID 107026376
N-cyclopentyl-N-[2-(dimethylamino)ethyl]-4-hydroxybutanamide
CID 79205212

Frequently Asked Questions

What is the IUPAC name of N-cyclobutyl-N-(2-hydroxyethyl)-4-(methylamino)butanamide?
The IUPAC name of N-cyclobutyl-N-(2-hydroxyethyl)-4-(methylamino)butanamide (CID 102862127) is N-cyclobutyl-N-(2-hydroxyethyl)-4-(methylamino)butanamide.
What is the SMILES notation for N-cyclobutyl-N-(2-hydroxyethyl)-4-(methylamino)butanamide?
The canonical SMILES for N-cyclobutyl-N-(2-hydroxyethyl)-4-(methylamino)butanamide is CNCCCC(=O)N(CCO)C1CCC1.
What is the InChIKey of N-cyclobutyl-N-(2-hydroxyethyl)-4-(methylamino)butanamide?
The InChIKey is XEHMEHXBYVISPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O2/c1-12-7-3-6-11(15)13(8-9-14)10-4-2-5-10/h10,12,14H,2-9H2,1H3.
What are the key properties of N-cyclobutyl-N-(2-hydroxyethyl)-4-(methylamino)butanamide?
N-cyclobutyl-N-(2-hydroxyethyl)-4-(methylamino)butanamide has a molecular weight of 214.31 g/mol, XLogP of 0.36, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclobutyl-N-(2-hydroxyethyl)-4-(methylamino)butanamide is sourced from PubChem (CID 102862127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).