N-[3-(tert-butylamino)-3-oxopropyl]-N-(2-methoxyethyl)-2-methylfuran-3-carboxamide

C16H26N2O4 — CID 3673721

IUPACN-[3-(tert-butylamino)-3-oxopropyl]-N-(2-methoxyethyl)-2-methylfuran-3-carboxamide
SMILESCOCCN(CCC(=O)NC(C)(C)C)C(=O)c1ccoc1C
InChIInChI=1S/C16H26N2O4/c1-12-13(7-10-22-12)15(20)18(9-11-21-5)8-6-14(19)17-16(2,3)4/h7,10H,6,8-9,11H2,1-5H3,(H,17,19)
InChIKeyOZCXETDAFSXQEN-UHFFFAOYSA-N
MW310.39 g/mol
LogP1.98
Rot. Bonds7

About N-[3-(tert-butylamino)-3-oxopropyl]-N-(2-methoxyethyl)-2-methylfuran-3-carboxamide

N-[3-(tert-butylamino)-3-oxopropyl]-N-(2-methoxyethyl)-2-methylfuran-3-carboxamide (PubChem CID 3673721) has the molecular formula C16H26N2O4 and a molecular weight of 310.39 g/mol. Its IUPAC name is N-[3-(tert-butylamino)-3-oxopropyl]-N-(2-methoxyethyl)-2-methylfuran-3-carboxamide.

Molecular Properties

Compound NameN-[3-(tert-butylamino)-3-oxopropyl]-N-(2-methoxyethyl)-2-methylfuran-3-carboxamide
PubChem CID3673721
Molecular FormulaC16H26N2O4
Molecular Weight310.39 g/mol
Exact Mass310.19
IUPAC NameN-[3-(tert-butylamino)-3-oxopropyl]-N-(2-methoxyethyl)-2-methylfuran-3-carboxamide
SMILESCOCCN(CCC(=O)NC(C)(C)C)C(=O)c1ccoc1C
InChIInChI=1S/C16H26N2O4/c1-12-13(7-10-22-12)15(20)18(9-11-21-5)8-6-14(19)17-16(2,3)4/h7,10H,6,8-9,11H2,1-5H3,(H,17,19)
InChIKeyOZCXETDAFSXQEN-UHFFFAOYSA-N
XLogP1.98
TPSA71.78 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.39
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[2-methoxyethyl-(2-methylfuran-3-carbonyl)amino]propanoic acid
CID 5103103
N-[3-(2-methoxyethylamino)-3-oxopropyl]-2-methyl-N-propylfuran-3-carboxamide
CID 42779802
N-(2-methoxyethyl)-2-methyl-N-[3-oxo-3-(pyridin-3-ylmethylamino)propyl]furan-3-carboxamide
CID 42779908
N-[3-(2,6-dimethylmorpholin-4-yl)-3-oxopropyl]-N-(2-methoxyethyl)-2-methylfuran-3-carboxamide
CID 42779884
methyl 3-[2-methoxyethyl-(3-methylfuran-2-carbonyl)amino]propanoate
CID 78959326
N-[3-(hexylamino)-3-oxopropyl]-2-methyl-N-propylfuran-3-carboxamide
CID 42779801
N-benzyl-N-[3-(ethoxyamino)-3-oxopropyl]-2-methylfuran-3-carboxamide
CID 5124108
N-(2-methoxyethyl)-2-methyl-N-[3-oxo-3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]propyl]furan-3-carboxamide
CID 42779894
N-(2-methoxyethyl)-N-[3-(2-methoxyethylamino)-3-oxopropyl]-2,5-dimethylfuran-3-carboxamide
CID 42779764
N-[3-(benzylamino)-3-oxopropyl]-N-ethyl-2-methylfuran-3-carboxamide
CID 5127775
N-benzyl-N-[3-(tert-butylamino)-3-oxopropyl]-2,5-dimethylfuran-3-carboxamide
CID 4154565
3-[methyl-(2-methylfuran-3-carbonyl)amino]propanoic acid
CID 60989961

Frequently Asked Questions

What is the IUPAC name of N-[3-(tert-butylamino)-3-oxopropyl]-N-(2-methoxyethyl)-2-methylfuran-3-carboxamide?
The IUPAC name of N-[3-(tert-butylamino)-3-oxopropyl]-N-(2-methoxyethyl)-2-methylfuran-3-carboxamide (CID 3673721) is N-[3-(tert-butylamino)-3-oxopropyl]-N-(2-methoxyethyl)-2-methylfuran-3-carboxamide.
What is the SMILES notation for N-[3-(tert-butylamino)-3-oxopropyl]-N-(2-methoxyethyl)-2-methylfuran-3-carboxamide?
The canonical SMILES for N-[3-(tert-butylamino)-3-oxopropyl]-N-(2-methoxyethyl)-2-methylfuran-3-carboxamide is COCCN(CCC(=O)NC(C)(C)C)C(=O)c1ccoc1C.
What is the InChIKey of N-[3-(tert-butylamino)-3-oxopropyl]-N-(2-methoxyethyl)-2-methylfuran-3-carboxamide?
The InChIKey is OZCXETDAFSXQEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O4/c1-12-13(7-10-22-12)15(20)18(9-11-21-5)8-6-14(19)17-16(2,3)4/h7,10H,6,8-9,11H2,1-5H3,(H,17,19).
What are the key properties of N-[3-(tert-butylamino)-3-oxopropyl]-N-(2-methoxyethyl)-2-methylfuran-3-carboxamide?
N-[3-(tert-butylamino)-3-oxopropyl]-N-(2-methoxyethyl)-2-methylfuran-3-carboxamide has a molecular weight of 310.39 g/mol, XLogP of 1.98, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(tert-butylamino)-3-oxopropyl]-N-(2-methoxyethyl)-2-methylfuran-3-carboxamide is sourced from PubChem (CID 3673721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).