2-[ethoxy(methoxy)methyl]-3-methyl-N-quinolin-8-ylbutanamide

C18H24N2O3 — CID 102340503

IUPAC2-[ethoxy(methoxy)methyl]-3-methyl-N-quinolin-8-ylbutanamide
SMILESCCOC(OC)C(C(=O)Nc1cccc2cccnc12)C(C)C
InChIInChI=1S/C18H24N2O3/c1-5-23-18(22-4)15(12(2)3)17(21)20-14-10-6-8-13-9-7-11-19-16(13)14/h6-12,15,18H,5H2,1-4H3,(H,20,21)
InChIKeyHTJFLPXGOXGTFB-UHFFFAOYSA-N
MW316.40 g/mol
LogP3.45
Rot. Bonds7

About 2-[ethoxy(methoxy)methyl]-3-methyl-N-quinolin-8-ylbutanamide

2-[ethoxy(methoxy)methyl]-3-methyl-N-quinolin-8-ylbutanamide (PubChem CID 102340503) has the molecular formula C18H24N2O3 and a molecular weight of 316.40 g/mol. Its IUPAC name is 2-[ethoxy(methoxy)methyl]-3-methyl-N-quinolin-8-ylbutanamide.

Molecular Properties

Compound Name2-[ethoxy(methoxy)methyl]-3-methyl-N-quinolin-8-ylbutanamide
PubChem CID102340503
Molecular FormulaC18H24N2O3
Molecular Weight316.40 g/mol
Exact Mass316.18
IUPAC Name2-[ethoxy(methoxy)methyl]-3-methyl-N-quinolin-8-ylbutanamide
SMILESCCOC(OC)C(C(=O)Nc1cccc2cccnc12)C(C)C
InChIInChI=1S/C18H24N2O3/c1-5-23-18(22-4)15(12(2)3)17(21)20-14-10-6-8-13-9-7-11-19-16(13)14/h6-12,15,18H,5H2,1-4H3,(H,20,21)
InChIKeyHTJFLPXGOXGTFB-UHFFFAOYSA-N
XLogP3.45
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.40
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

(2S)-2-amino-3-methyl-N-quinolin-8-ylbutanamide
CID 22690765
ethyl 2-oxo-2-(quinolin-8-ylamino)acetate
CID 10421911
1-propyl-3-quinolin-8-ylurea
CID 13078451
(2S)-2-(dimethylamino)-N-quinolin-8-ylpropanamide
CID 59003766
(2R)-2-amino-N-quinolin-8-ylpentanamide
CID 103813268
(3R)-3-(4-bromophenyl)-2-[(1S)-1-(4-bromophenyl)ethyl]-N-quinolin-8-ylbutanamide
CID 132555355
1-(2-hydroxypropyl)-3-quinolin-8-ylurea
CID 47032842
2-ethenyl-3-ethyl-N-quinolin-8-ylpentanamide
CID 175955746
2-(N'-hydroxycarbamimidoyl)-3-methyl-N-quinolin-8-ylbutanamide
CID 76925148
3,4,5-triethoxy-N-quinolin-8-ylbenzamide
CID 1018003
3-ethoxy-4-methoxy-N-quinolin-8-ylbenzamide
CID 26123353
(2S,3S)-2-(1,3-dioxoisoindol-2-yl)-3-methyl-N-quinolin-8-ylpentanamide
CID 11846431

Frequently Asked Questions

What is the IUPAC name of 2-[ethoxy(methoxy)methyl]-3-methyl-N-quinolin-8-ylbutanamide?
The IUPAC name of 2-[ethoxy(methoxy)methyl]-3-methyl-N-quinolin-8-ylbutanamide (CID 102340503) is 2-[ethoxy(methoxy)methyl]-3-methyl-N-quinolin-8-ylbutanamide.
What is the SMILES notation for 2-[ethoxy(methoxy)methyl]-3-methyl-N-quinolin-8-ylbutanamide?
The canonical SMILES for 2-[ethoxy(methoxy)methyl]-3-methyl-N-quinolin-8-ylbutanamide is CCOC(OC)C(C(=O)Nc1cccc2cccnc12)C(C)C.
What is the InChIKey of 2-[ethoxy(methoxy)methyl]-3-methyl-N-quinolin-8-ylbutanamide?
The InChIKey is HTJFLPXGOXGTFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O3/c1-5-23-18(22-4)15(12(2)3)17(21)20-14-10-6-8-13-9-7-11-19-16(13)14/h6-12,15,18H,5H2,1-4H3,(H,20,21).
What are the key properties of 2-[ethoxy(methoxy)methyl]-3-methyl-N-quinolin-8-ylbutanamide?
2-[ethoxy(methoxy)methyl]-3-methyl-N-quinolin-8-ylbutanamide has a molecular weight of 316.40 g/mol, XLogP of 3.45, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[ethoxy(methoxy)methyl]-3-methyl-N-quinolin-8-ylbutanamide is sourced from PubChem (CID 102340503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).