N-[2-[(2-hydroxy-2,5-dimethylhexyl)amino]-2-oxoethyl]-2,5-dimethylfuran-3-carboxamide

C17H28N2O4 — CID 111485177

IUPACN-[2-[(2-hydroxy-2,5-dimethylhexyl)amino]-2-oxoethyl]-2,5-dimethylfuran-3-carboxamide
SMILESCc1cc(C(=O)NCC(=O)NCC(C)(O)CCC(C)C)c(C)o1
InChIInChI=1S/C17H28N2O4/c1-11(2)6-7-17(5,22)10-19-15(20)9-18-16(21)14-8-12(3)23-13(14)4/h8,11,22H,6-7,9-10H2,1-5H3,(H,18,21)(H,19,20)
InChIKeyVMGUJGWGNMXNQI-UHFFFAOYSA-N
MW324.42 g/mol
LogP1.93
Rot. Bonds8

About N-[2-[(2-hydroxy-2,5-dimethylhexyl)amino]-2-oxoethyl]-2,5-dimethylfuran-3-carboxamide

N-[2-[(2-hydroxy-2,5-dimethylhexyl)amino]-2-oxoethyl]-2,5-dimethylfuran-3-carboxamide (PubChem CID 111485177) has the molecular formula C17H28N2O4 and a molecular weight of 324.42 g/mol. Its IUPAC name is N-[2-[(2-hydroxy-2,5-dimethylhexyl)amino]-2-oxoethyl]-2,5-dimethylfuran-3-carboxamide.

Molecular Properties

Compound NameN-[2-[(2-hydroxy-2,5-dimethylhexyl)amino]-2-oxoethyl]-2,5-dimethylfuran-3-carboxamide
PubChem CID111485177
Molecular FormulaC17H28N2O4
Molecular Weight324.42 g/mol
Exact Mass324.20
IUPAC NameN-[2-[(2-hydroxy-2,5-dimethylhexyl)amino]-2-oxoethyl]-2,5-dimethylfuran-3-carboxamide
SMILESCc1cc(C(=O)NCC(=O)NCC(C)(O)CCC(C)C)c(C)o1
InChIInChI=1S/C17H28N2O4/c1-11(2)6-7-17(5,22)10-19-15(20)9-18-16(21)14-8-12(3)23-13(14)4/h8,11,22H,6-7,9-10H2,1-5H3,(H,18,21)(H,19,20)
InChIKeyVMGUJGWGNMXNQI-UHFFFAOYSA-N
XLogP1.93
TPSA91.57 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.42
LogP ≤ 51.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze N-[2-[(2-hydroxy-2,5-dimethylhexyl)amino]-2-oxoethyl]-2,5-dimethylfuran-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[(5-Isobutyl-2-methyl-furan-3-carbonyl)-amino]-butyric acid
CID 2932477
2-[(2,5-Dimethylfuran-3-yl)formamido]acetic acid
CID 1085174
1-(2,5-Dimethylfuran-3-carbonyl)piperidine-4-carboxylic acid
CID 2813437
(2,5-Dimethylfuran-3-yl)-(3,5-dimethylpiperidin-1-yl)methanone
CID 4573434
Cyclafuramid
CID 93178
2-[(2,5-Dimethyl-furan-3-carbonyl)-amino]-3-phenyl-propionic acid
CID 2896685
N-[2-(1-cyclohexen-1-yl)ethyl]-2,5-dimethyl-3-furamide
CID 2712666
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-(2-methoxyethyl)-2,5-dimethylfuran-3-carboxamide
CID 24686540
1-[4-(2,5-Dimethylfuran-3-carbonyl)piperazin-1-yl]ethanone
CID 2101213
N-(4-hydroxycyclohexyl)-2,5-dimethylfuran-3-carboxamide
CID 2422759
2,5-dimethyl-N-(4-methylcyclohexyl)furan-3-carboxamide
CID 17148782
1-(2,5-Dimethylfuran-3-carbonyl)piperidine-4-carboxamide
CID 33809481

Frequently Asked Questions

What is the IUPAC name of N-[2-[(2-hydroxy-2,5-dimethylhexyl)amino]-2-oxoethyl]-2,5-dimethylfuran-3-carboxamide?
The IUPAC name of N-[2-[(2-hydroxy-2,5-dimethylhexyl)amino]-2-oxoethyl]-2,5-dimethylfuran-3-carboxamide (CID 111485177) is N-[2-[(2-hydroxy-2,5-dimethylhexyl)amino]-2-oxoethyl]-2,5-dimethylfuran-3-carboxamide.
What is the SMILES notation for N-[2-[(2-hydroxy-2,5-dimethylhexyl)amino]-2-oxoethyl]-2,5-dimethylfuran-3-carboxamide?
The canonical SMILES for N-[2-[(2-hydroxy-2,5-dimethylhexyl)amino]-2-oxoethyl]-2,5-dimethylfuran-3-carboxamide is Cc1cc(C(=O)NCC(=O)NCC(C)(O)CCC(C)C)c(C)o1.
What is the InChIKey of N-[2-[(2-hydroxy-2,5-dimethylhexyl)amino]-2-oxoethyl]-2,5-dimethylfuran-3-carboxamide?
The InChIKey is VMGUJGWGNMXNQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O4/c1-11(2)6-7-17(5,22)10-19-15(20)9-18-16(21)14-8-12(3)23-13(14)4/h8,11,22H,6-7,9-10H2,1-5H3,(H,18,21)(H,19,20).
What are the key properties of N-[2-[(2-hydroxy-2,5-dimethylhexyl)amino]-2-oxoethyl]-2,5-dimethylfuran-3-carboxamide?
N-[2-[(2-hydroxy-2,5-dimethylhexyl)amino]-2-oxoethyl]-2,5-dimethylfuran-3-carboxamide has a molecular weight of 324.42 g/mol, XLogP of 1.93, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(2-hydroxy-2,5-dimethylhexyl)amino]-2-oxoethyl]-2,5-dimethylfuran-3-carboxamide is sourced from PubChem (CID 111485177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).