N-[1-(azepan-1-yl)-2-methylpropan-2-yl]-5-(hydroxymethyl)furan-2-carboxamide

C16H26N2O3 — CID 56871151

IUPACN-[1-(azepan-1-yl)-2-methylpropan-2-yl]-5-(hydroxymethyl)furan-2-carboxamide
SMILESCC(C)(CN1CCCCCC1)NC(=O)c1ccc(CO)o1
InChIInChI=1S/C16H26N2O3/c1-16(2,12-18-9-5-3-4-6-10-18)17-15(20)14-8-7-13(11-19)21-14/h7-8,19H,3-6,9-12H2,1-2H3,(H,17,20)
InChIKeySWKVJQNHIXUVPC-UHFFFAOYSA-N
MW294.39 g/mol
LogP2.16
Rot. Bonds5

About N-[1-(azepan-1-yl)-2-methylpropan-2-yl]-5-(hydroxymethyl)furan-2-carboxamide

N-[1-(azepan-1-yl)-2-methylpropan-2-yl]-5-(hydroxymethyl)furan-2-carboxamide (PubChem CID 56871151) has the molecular formula C16H26N2O3 and a molecular weight of 294.39 g/mol. Its IUPAC name is N-[1-(azepan-1-yl)-2-methylpropan-2-yl]-5-(hydroxymethyl)furan-2-carboxamide.

Molecular Properties

Compound NameN-[1-(azepan-1-yl)-2-methylpropan-2-yl]-5-(hydroxymethyl)furan-2-carboxamide
PubChem CID56871151
Molecular FormulaC16H26N2O3
Molecular Weight294.39 g/mol
Exact Mass294.19
IUPAC NameN-[1-(azepan-1-yl)-2-methylpropan-2-yl]-5-(hydroxymethyl)furan-2-carboxamide
SMILESCC(C)(CN1CCCCCC1)NC(=O)c1ccc(CO)o1
InChIInChI=1S/C16H26N2O3/c1-16(2,12-18-9-5-3-4-6-10-18)17-15(20)14-8-7-13(11-19)21-14/h7-8,19H,3-6,9-12H2,1-2H3,(H,17,20)
InChIKeySWKVJQNHIXUVPC-UHFFFAOYSA-N
XLogP2.16
TPSA65.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.39
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-methyl-1-pyrrolidin-1-ylpropan-2-yl)-4-(piperidin-1-ylmethyl)benzamide
CID 166236360
N-(2-methyl-1-piperidin-1-ylpropan-2-yl)benzamide
CID 69072058
N-ethyl-5-(piperidin-1-ylmethyl)furan-2-carboxamide
CID 19416150
[5-(azocan-1-ylmethyl)furan-2-yl]methanol
CID 115879764
N-(2,6-dichlorophenyl)-5-(piperidin-1-ylmethyl)furan-2-carboxamide
CID 19415907
N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]-5-(methylsulfanylmethyl)furan-2-carboxamide
CID 113435006
5-amino-N-(1-hydroxy-2-methylpropan-2-yl)furan-2-carboxamide
CID 82344173
oxalic acid;5-(piperidin-1-ylmethyl)furan-2-carboxylic acid
CID 45156284
N-(1-methylpyrazol-3-yl)-5-(piperidin-1-ylmethyl)furan-2-carboxamide
CID 19416098
N-hexyl-5-(pyrrolidin-1-ylmethyl)furan-2-carboxamide
CID 19414016
N-(2-bromophenyl)-5-(piperidin-1-ylmethyl)furan-2-carboxamide
CID 35332804
5-ethyl-N-(2-methyl-1-pyrrolidin-1-ylpropan-2-yl)-1H-pyrazole-3-carboxamide
CID 146092308

Frequently Asked Questions

What is the IUPAC name of N-[1-(azepan-1-yl)-2-methylpropan-2-yl]-5-(hydroxymethyl)furan-2-carboxamide?
The IUPAC name of N-[1-(azepan-1-yl)-2-methylpropan-2-yl]-5-(hydroxymethyl)furan-2-carboxamide (CID 56871151) is N-[1-(azepan-1-yl)-2-methylpropan-2-yl]-5-(hydroxymethyl)furan-2-carboxamide.
What is the SMILES notation for N-[1-(azepan-1-yl)-2-methylpropan-2-yl]-5-(hydroxymethyl)furan-2-carboxamide?
The canonical SMILES for N-[1-(azepan-1-yl)-2-methylpropan-2-yl]-5-(hydroxymethyl)furan-2-carboxamide is CC(C)(CN1CCCCCC1)NC(=O)c1ccc(CO)o1.
What is the InChIKey of N-[1-(azepan-1-yl)-2-methylpropan-2-yl]-5-(hydroxymethyl)furan-2-carboxamide?
The InChIKey is SWKVJQNHIXUVPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O3/c1-16(2,12-18-9-5-3-4-6-10-18)17-15(20)14-8-7-13(11-19)21-14/h7-8,19H,3-6,9-12H2,1-2H3,(H,17,20).
What are the key properties of N-[1-(azepan-1-yl)-2-methylpropan-2-yl]-5-(hydroxymethyl)furan-2-carboxamide?
N-[1-(azepan-1-yl)-2-methylpropan-2-yl]-5-(hydroxymethyl)furan-2-carboxamide has a molecular weight of 294.39 g/mol, XLogP of 2.16, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(azepan-1-yl)-2-methylpropan-2-yl]-5-(hydroxymethyl)furan-2-carboxamide is sourced from PubChem (CID 56871151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).