N-(1-amino-4-methylpentan-3-yl)-2,4,5-trimethylfuran-3-carboxamide

C14H24N2O2 — CID 106356736

IUPACN-(1-amino-4-methylpentan-3-yl)-2,4,5-trimethylfuran-3-carboxamide
SMILESCc1oc(C)c(C(=O)NC(CCN)C(C)C)c1C
InChIInChI=1S/C14H24N2O2/c1-8(2)12(6-7-15)16-14(17)13-9(3)10(4)18-11(13)5/h8,12H,6-7,15H2,1-5H3,(H,16,17)
InChIKeyWBKMDGFBBGMCPJ-UHFFFAOYSA-N
MW252.36 g/mol
LogP2.31
Rot. Bonds5

About N-(1-amino-4-methylpentan-3-yl)-2,4,5-trimethylfuran-3-carboxamide

N-(1-amino-4-methylpentan-3-yl)-2,4,5-trimethylfuran-3-carboxamide (PubChem CID 106356736) has the molecular formula C14H24N2O2 and a molecular weight of 252.36 g/mol. Its IUPAC name is N-(1-amino-4-methylpentan-3-yl)-2,4,5-trimethylfuran-3-carboxamide.

Molecular Properties

Compound NameN-(1-amino-4-methylpentan-3-yl)-2,4,5-trimethylfuran-3-carboxamide
PubChem CID106356736
Molecular FormulaC14H24N2O2
Molecular Weight252.36 g/mol
Exact Mass252.18
IUPAC NameN-(1-amino-4-methylpentan-3-yl)-2,4,5-trimethylfuran-3-carboxamide
SMILESCc1oc(C)c(C(=O)NC(CCN)C(C)C)c1C
InChIInChI=1S/C14H24N2O2/c1-8(2)12(6-7-15)16-14(17)13-9(3)10(4)18-11(13)5/h8,12H,6-7,15H2,1-5H3,(H,16,17)
InChIKeyWBKMDGFBBGMCPJ-UHFFFAOYSA-N
XLogP2.31
TPSA68.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-chloro-3-methylbutan-2-yl)-2,4,5-trimethylfuran-3-carboxamide
CID 114305466
N-(1-aminopentan-3-yl)-2,4,5-trimethylfuran-3-carboxamide
CID 65151428
N-(5-chloropentan-2-yl)-2,4,5-trimethylfuran-3-carboxamide
CID 114305810
N-(1-cyano-2-methylpropyl)-2,4,5-trimethylfuran-3-carboxamide
CID 65153523
4-amino-4-oxo-2-[(2,4,5-trimethylfuran-3-carbonyl)amino]butanoic acid
CID 43357141
N-(1-amino-4-methylpentan-3-yl)-3-methylfuran-2-carboxamide
CID 106356722
N-(1-amino-4-methylpentan-3-yl)-4-fluoro-3-methylbenzamide
CID 106356719
N-(1-amino-4-methylpentan-3-yl)-4-ethylbenzamide
CID 106356762
N-(1-amino-4-methylpentan-3-yl)-2-methylbutanamide
CID 106356922
N-(2-amino-1-cyclohexylethyl)-2,4,5-trimethylfuran-3-carboxamide
CID 81485921
N-[1-(3,4-difluorophenyl)ethyl]-2,4,5-trimethylfuran-3-carboxamide
CID 46522444
N-(1-amino-4-methylpentan-3-yl)-2,6-dimethylpyridine-3-carboxamide
CID 114178127

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-4-methylpentan-3-yl)-2,4,5-trimethylfuran-3-carboxamide?
The IUPAC name of N-(1-amino-4-methylpentan-3-yl)-2,4,5-trimethylfuran-3-carboxamide (CID 106356736) is N-(1-amino-4-methylpentan-3-yl)-2,4,5-trimethylfuran-3-carboxamide.
What is the SMILES notation for N-(1-amino-4-methylpentan-3-yl)-2,4,5-trimethylfuran-3-carboxamide?
The canonical SMILES for N-(1-amino-4-methylpentan-3-yl)-2,4,5-trimethylfuran-3-carboxamide is Cc1oc(C)c(C(=O)NC(CCN)C(C)C)c1C.
What is the InChIKey of N-(1-amino-4-methylpentan-3-yl)-2,4,5-trimethylfuran-3-carboxamide?
The InChIKey is WBKMDGFBBGMCPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O2/c1-8(2)12(6-7-15)16-14(17)13-9(3)10(4)18-11(13)5/h8,12H,6-7,15H2,1-5H3,(H,16,17).
What are the key properties of N-(1-amino-4-methylpentan-3-yl)-2,4,5-trimethylfuran-3-carboxamide?
N-(1-amino-4-methylpentan-3-yl)-2,4,5-trimethylfuran-3-carboxamide has a molecular weight of 252.36 g/mol, XLogP of 2.31, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-4-methylpentan-3-yl)-2,4,5-trimethylfuran-3-carboxamide is sourced from PubChem (CID 106356736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).