2-[butanoyl(furan-2-ylmethyl)amino]-N-cyclohexylbutanamide

C19H30N2O3 — CID 163170695

IUPAC2-[butanoyl(furan-2-ylmethyl)amino]-N-cyclohexylbutanamide
SMILESCCCC(=O)N(Cc1ccco1)C(CC)C(=O)NC1CCCCC1
InChIInChI=1S/C19H30N2O3/c1-3-9-18(22)21(14-16-12-8-13-24-16)17(4-2)19(23)20-15-10-6-5-7-11-15/h8,12-13,15,17H,3-7,9-11,14H2,1-2H3,(H,20,23)
InChIKeyVGNZLQVZMFEWJW-UHFFFAOYSA-N
MW334.46 g/mol
LogP3.64
Rot. Bonds8

About 2-[butanoyl(furan-2-ylmethyl)amino]-N-cyclohexylbutanamide

2-[butanoyl(furan-2-ylmethyl)amino]-N-cyclohexylbutanamide (PubChem CID 163170695) has the molecular formula C19H30N2O3 and a molecular weight of 334.46 g/mol. Its IUPAC name is 2-[butanoyl(furan-2-ylmethyl)amino]-N-cyclohexylbutanamide.

Molecular Properties

Compound Name2-[butanoyl(furan-2-ylmethyl)amino]-N-cyclohexylbutanamide
PubChem CID163170695
Molecular FormulaC19H30N2O3
Molecular Weight334.46 g/mol
Exact Mass334.23
IUPAC Name2-[butanoyl(furan-2-ylmethyl)amino]-N-cyclohexylbutanamide
SMILESCCCC(=O)N(Cc1ccco1)C(CC)C(=O)NC1CCCCC1
InChIInChI=1S/C19H30N2O3/c1-3-9-18(22)21(14-16-12-8-13-24-16)17(4-2)19(23)20-15-10-6-5-7-11-15/h8,12-13,15,17H,3-7,9-11,14H2,1-2H3,(H,20,23)
InChIKeyVGNZLQVZMFEWJW-UHFFFAOYSA-N
XLogP3.64
TPSA62.55 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.46
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[but-2-enoyl(furan-2-ylmethyl)amino]-N-cyclohexylbutanamide
CID 163176199
(2S)-2-[benzyl(butanoyl)amino]-N-cyclohexylbutanamide
CID 100528481
2-[butanoyl-[(2-methylphenyl)methyl]amino]-N-cyclopentylbutanamide
CID 132761148
N-cyclopentyl-2-[furan-2-ylmethyl-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]amino]butanamide
CID 3179915
2-[butanoyl-[(3,4-dichlorophenyl)methyl]amino]-N-cyclopentylbutanamide
CID 132763541
N-cyclopentyl-2-[[2-[5-(3,4-dimethoxyphenyl)tetrazol-2-yl]acetyl]-(furan-2-ylmethyl)amino]butanamide
CID 23795781
(2S)-2-[(2-chloroacetyl)-(furan-2-ylmethyl)amino]-N-cyclohexyl-2-(2-methylphenyl)acetamide
CID 51393782
2-[bis(furan-2-ylmethyl)amino]-N-cycloheptylacetamide
CID 27118894
(2R)-N-cyclohexyl-2-[(4-methylphenyl)methyl-[3-(4-methylphenyl)propanoyl]amino]butanamide
CID 100546698
2-[(2-chloroacetyl)-(furan-2-ylmethyl)amino]-N-cycloheptyl-2-(3-methoxy-4-propoxyphenyl)acetamide
CID 86810222
(2R)-N-cyclohexyl-2-[(4-methylphenyl)methyl-(3-naphthalen-1-ylpropanoyl)amino]butanamide
CID 100548603
N-[(2S)-1-(cyclohexylamino)-1-oxo-3-phenylpropan-2-yl]-N-[(4-methylphenyl)methyl]butanamide
CID 100590102

Frequently Asked Questions

What is the IUPAC name of 2-[butanoyl(furan-2-ylmethyl)amino]-N-cyclohexylbutanamide?
The IUPAC name of 2-[butanoyl(furan-2-ylmethyl)amino]-N-cyclohexylbutanamide (CID 163170695) is 2-[butanoyl(furan-2-ylmethyl)amino]-N-cyclohexylbutanamide.
What is the SMILES notation for 2-[butanoyl(furan-2-ylmethyl)amino]-N-cyclohexylbutanamide?
The canonical SMILES for 2-[butanoyl(furan-2-ylmethyl)amino]-N-cyclohexylbutanamide is CCCC(=O)N(Cc1ccco1)C(CC)C(=O)NC1CCCCC1.
What is the InChIKey of 2-[butanoyl(furan-2-ylmethyl)amino]-N-cyclohexylbutanamide?
The InChIKey is VGNZLQVZMFEWJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N2O3/c1-3-9-18(22)21(14-16-12-8-13-24-16)17(4-2)19(23)20-15-10-6-5-7-11-15/h8,12-13,15,17H,3-7,9-11,14H2,1-2H3,(H,20,23).
What are the key properties of 2-[butanoyl(furan-2-ylmethyl)amino]-N-cyclohexylbutanamide?
2-[butanoyl(furan-2-ylmethyl)amino]-N-cyclohexylbutanamide has a molecular weight of 334.46 g/mol, XLogP of 3.64, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[butanoyl(furan-2-ylmethyl)amino]-N-cyclohexylbutanamide is sourced from PubChem (CID 163170695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).