2-(2,6-dimethylmorpholin-4-yl)-N-[2-(furan-2-yl)-2-hydroxypropyl]-3-methylbutanamide

C18H30N2O4 — CID 111482302

IUPAC2-(2,6-dimethylmorpholin-4-yl)-N-[2-(furan-2-yl)-2-hydroxypropyl]-3-methylbutanamide
SMILESCC1CN(C(C(=O)NCC(C)(O)c2ccco2)C(C)C)CC(C)O1
InChIInChI=1S/C18H30N2O4/c1-12(2)16(20-9-13(3)24-14(4)10-20)17(21)19-11-18(5,22)15-7-6-8-23-15/h6-8,12-14,16,22H,9-11H2,1-5H3,(H,19,21)
InChIKeyKTSMBBBYXGWKBE-UHFFFAOYSA-N
MW338.45 g/mol
LogP1.74
Rot. Bonds6

About 2-(2,6-dimethylmorpholin-4-yl)-N-[2-(furan-2-yl)-2-hydroxypropyl]-3-methylbutanamide

2-(2,6-dimethylmorpholin-4-yl)-N-[2-(furan-2-yl)-2-hydroxypropyl]-3-methylbutanamide (PubChem CID 111482302) has the molecular formula C18H30N2O4 and a molecular weight of 338.45 g/mol. Its IUPAC name is 2-(2,6-dimethylmorpholin-4-yl)-N-[2-(furan-2-yl)-2-hydroxypropyl]-3-methylbutanamide.

Molecular Properties

Compound Name2-(2,6-dimethylmorpholin-4-yl)-N-[2-(furan-2-yl)-2-hydroxypropyl]-3-methylbutanamide
PubChem CID111482302
Molecular FormulaC18H30N2O4
Molecular Weight338.45 g/mol
Exact Mass338.22
IUPAC Name2-(2,6-dimethylmorpholin-4-yl)-N-[2-(furan-2-yl)-2-hydroxypropyl]-3-methylbutanamide
SMILESCC1CN(C(C(=O)NCC(C)(O)c2ccco2)C(C)C)CC(C)O1
InChIInChI=1S/C18H30N2O4/c1-12(2)16(20-9-13(3)24-14(4)10-20)17(21)19-11-18(5,22)15-7-6-8-23-15/h6-8,12-14,16,22H,9-11H2,1-5H3,(H,19,21)
InChIKeyKTSMBBBYXGWKBE-UHFFFAOYSA-N
XLogP1.74
TPSA74.94 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.45
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(furan-2-yl)-2-hydroxypropyl]-2-methylpentanamide
CID 111482352
N-[1-[[2-(furan-2-yl)-2-hydroxypropyl]amino]-1-oxopropan-2-yl]-2,2-dimethylpropanamide
CID 111482737
N-[2-(furan-2-yl)-2-hydroxypropyl]cyclopropanecarboxamide
CID 71782530
N-[2-(furan-2-yl)-2-hydroxypropyl]-2-(3-methylbutoxy)propanamide
CID 111482542
(2S)-2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-3-methyl-N-[2-(pyrimidin-2-ylamino)ethyl]butanamide
CID 94822505
2-[[2-(furan-2-yl)-2-hydroxypropyl]carbamoyl]cyclobutane-1-carboxylic acid
CID 120976425
1-[(2S)-3,3-dimethylbutan-2-yl]-3-[(2R)-2-(furan-2-yl)-2-hydroxypropyl]urea
CID 95934768
(2R)-2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-3-methyl-N-(pyridin-2-ylmethyl)butanamide
CID 98750563
3-[[(2S)-2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-3-methylbutanoyl]amino]propanoic acid
CID 125151081
methyl N-[2-(furan-2-yl)-2-hydroxypropyl]carbamate
CID 121085806
N-[2-(furan-2-yl)-2-hydroxypropyl]-1-(4-methylcyclohexyl)-5-oxopyrrolidine-3-carboxamide
CID 111482781
1-[2-(furan-2-yl)-2-hydroxypropyl]-3-(2,2,2-trifluoroethyl)urea
CID 111474174

Frequently Asked Questions

What is the IUPAC name of 2-(2,6-dimethylmorpholin-4-yl)-N-[2-(furan-2-yl)-2-hydroxypropyl]-3-methylbutanamide?
The IUPAC name of 2-(2,6-dimethylmorpholin-4-yl)-N-[2-(furan-2-yl)-2-hydroxypropyl]-3-methylbutanamide (CID 111482302) is 2-(2,6-dimethylmorpholin-4-yl)-N-[2-(furan-2-yl)-2-hydroxypropyl]-3-methylbutanamide.
What is the SMILES notation for 2-(2,6-dimethylmorpholin-4-yl)-N-[2-(furan-2-yl)-2-hydroxypropyl]-3-methylbutanamide?
The canonical SMILES for 2-(2,6-dimethylmorpholin-4-yl)-N-[2-(furan-2-yl)-2-hydroxypropyl]-3-methylbutanamide is CC1CN(C(C(=O)NCC(C)(O)c2ccco2)C(C)C)CC(C)O1.
What is the InChIKey of 2-(2,6-dimethylmorpholin-4-yl)-N-[2-(furan-2-yl)-2-hydroxypropyl]-3-methylbutanamide?
The InChIKey is KTSMBBBYXGWKBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2O4/c1-12(2)16(20-9-13(3)24-14(4)10-20)17(21)19-11-18(5,22)15-7-6-8-23-15/h6-8,12-14,16,22H,9-11H2,1-5H3,(H,19,21).
What are the key properties of 2-(2,6-dimethylmorpholin-4-yl)-N-[2-(furan-2-yl)-2-hydroxypropyl]-3-methylbutanamide?
2-(2,6-dimethylmorpholin-4-yl)-N-[2-(furan-2-yl)-2-hydroxypropyl]-3-methylbutanamide has a molecular weight of 338.45 g/mol, XLogP of 1.74, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-dimethylmorpholin-4-yl)-N-[2-(furan-2-yl)-2-hydroxypropyl]-3-methylbutanamide is sourced from PubChem (CID 111482302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).