2-ethyl-N-[(3-hydroxycyclobutyl)-quinolin-3-ylmethyl]butanamide

C20H26N2O2 — CID 91765727

IUPAC2-ethyl-N-[(3-hydroxycyclobutyl)-quinolin-3-ylmethyl]butanamide
SMILESCCC(CC)C(=O)NC(c1cnc2ccccc2c1)C1CC(O)C1
InChIInChI=1S/C20H26N2O2/c1-3-13(4-2)20(24)22-19(15-10-17(23)11-15)16-9-14-7-5-6-8-18(14)21-12-16/h5-9,12-13,15,17,19,23H,3-4,10-11H2,1-2H3,(H,22,24)
InChIKeyHOCDFIZYXUNMKM-UHFFFAOYSA-N
MW326.44 g/mol
LogP3.60
Rot. Bonds6

About 2-ethyl-N-[(3-hydroxycyclobutyl)-quinolin-3-ylmethyl]butanamide

2-ethyl-N-[(3-hydroxycyclobutyl)-quinolin-3-ylmethyl]butanamide (PubChem CID 91765727) has the molecular formula C20H26N2O2 and a molecular weight of 326.44 g/mol. Its IUPAC name is 2-ethyl-N-[(3-hydroxycyclobutyl)-quinolin-3-ylmethyl]butanamide.

Molecular Properties

Compound Name2-ethyl-N-[(3-hydroxycyclobutyl)-quinolin-3-ylmethyl]butanamide
PubChem CID91765727
Molecular FormulaC20H26N2O2
Molecular Weight326.44 g/mol
Exact Mass326.20
IUPAC Name2-ethyl-N-[(3-hydroxycyclobutyl)-quinolin-3-ylmethyl]butanamide
SMILESCCC(CC)C(=O)NC(c1cnc2ccccc2c1)C1CC(O)C1
InChIInChI=1S/C20H26N2O2/c1-3-13(4-2)20(24)22-19(15-10-17(23)11-15)16-9-14-7-5-6-8-18(14)21-12-16/h5-9,12-13,15,17,19,23H,3-4,10-11H2,1-2H3,(H,22,24)
InChIKeyHOCDFIZYXUNMKM-UHFFFAOYSA-N
XLogP3.60
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.44
LogP ≤ 53.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-ethyl-N-[(3-hydroxycyclobutyl)-quinolin-3-ylmethyl]-5-methylpyrazole-3-carboxamide
CID 91774287
N-[(3-hydroxycyclobutyl)-quinolin-3-ylmethyl]-3-pyrazol-1-ylpropanamide
CID 91781261
2-ethyl-N-[(3-hydroxycyclobutyl)-quinolin-3-ylmethyl]-4-methyl-1,3-thiazole-5-carboxamide
CID 91796101
N-[(3-hydroxycyclobutyl)-quinolin-3-ylmethyl]pyridazine-4-carboxamide
CID 91782979
N-[(3-hydroxycyclobutyl)-quinolin-3-ylmethyl]-2,5-dimethylpyrazole-3-carboxamide
CID 91768658
N-[(3-hydroxycyclobutyl)-quinolin-3-ylmethyl]-2-(tetrazol-1-yl)acetamide
CID 91790371
N-[(3-hydroxycyclobutyl)-quinolin-3-ylmethyl]-3-methylpyridine-4-carboxamide
CID 91763890
N-[(3-hydroxycyclobutyl)-quinolin-3-ylmethyl]-2-thiophen-2-ylacetamide
CID 91764754
3-(2-ethylimidazol-1-yl)-N-[(3-hydroxycyclobutyl)-quinolin-3-ylmethyl]propanamide
CID 91762443
4-chloro-N-[(3-hydroxycyclobutyl)-quinolin-3-ylmethyl]-1-methylpyrazole-5-carboxamide
CID 91787352
3-amino-N-[(3-hydroxycyclobutyl)-quinolin-3-ylmethyl]-1,2-thiazole-4-carboxamide
CID 91774940
2-(2,5-dioxoimidazolidin-1-yl)-N-[(3-hydroxycyclobutyl)-quinolin-3-ylmethyl]acetamide
CID 91768467

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-N-[(3-hydroxycyclobutyl)-quinolin-3-ylmethyl]butanamide?
The IUPAC name of 2-ethyl-N-[(3-hydroxycyclobutyl)-quinolin-3-ylmethyl]butanamide (CID 91765727) is 2-ethyl-N-[(3-hydroxycyclobutyl)-quinolin-3-ylmethyl]butanamide.
What is the SMILES notation for 2-ethyl-N-[(3-hydroxycyclobutyl)-quinolin-3-ylmethyl]butanamide?
The canonical SMILES for 2-ethyl-N-[(3-hydroxycyclobutyl)-quinolin-3-ylmethyl]butanamide is CCC(CC)C(=O)NC(c1cnc2ccccc2c1)C1CC(O)C1.
What is the InChIKey of 2-ethyl-N-[(3-hydroxycyclobutyl)-quinolin-3-ylmethyl]butanamide?
The InChIKey is HOCDFIZYXUNMKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O2/c1-3-13(4-2)20(24)22-19(15-10-17(23)11-15)16-9-14-7-5-6-8-18(14)21-12-16/h5-9,12-13,15,17,19,23H,3-4,10-11H2,1-2H3,(H,22,24).
What are the key properties of 2-ethyl-N-[(3-hydroxycyclobutyl)-quinolin-3-ylmethyl]butanamide?
2-ethyl-N-[(3-hydroxycyclobutyl)-quinolin-3-ylmethyl]butanamide has a molecular weight of 326.44 g/mol, XLogP of 3.60, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-N-[(3-hydroxycyclobutyl)-quinolin-3-ylmethyl]butanamide is sourced from PubChem (CID 91765727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).