2-[but-2-enoyl(furan-2-ylmethyl)amino]-N-cyclohexylbutanamide

C19H28N2O3 — CID 163176199

IUPAC2-[but-2-enoyl(furan-2-ylmethyl)amino]-N-cyclohexylbutanamide
SMILESCC=CC(=O)N(Cc1ccco1)C(CC)C(=O)NC1CCCCC1
InChIInChI=1S/C19H28N2O3/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/h3,8-9,12-13,15,17H,4-7,10-11,14H2,1-2H3,(H,20,23)
InChIKeyXITNMQJGKQRBFQ-UHFFFAOYSA-N
MW332.44 g/mol
LogP3.41
Rot. Bonds7

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

2-[but-2-enoyl(furan-2-ylmethyl)amino]-N-cyclohexylbutanamide (PubChem CID 163176199) has the molecular formula C19H28N2O3 and a molecular weight of 332.44 g/mol. Its IUPAC name is 2-[but-2-enoyl(furan-2-ylmethyl)amino]-N-cyclohexylbutanamide.

Molecular Properties

Compound Name2-[but-2-enoyl(furan-2-ylmethyl)amino]-N-cyclohexylbutanamide
PubChem CID163176199
Molecular FormulaC19H28N2O3
Molecular Weight332.44 g/mol
Exact Mass332.21
IUPAC Name2-[but-2-enoyl(furan-2-ylmethyl)amino]-N-cyclohexylbutanamide
SMILESCC=CC(=O)N(Cc1ccco1)C(CC)C(=O)NC1CCCCC1
InChIInChI=1S/C19H28N2O3/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/h3,8-9,12-13,15,17H,4-7,10-11,14H2,1-2H3,(H,20,23)
InChIKeyXITNMQJGKQRBFQ-UHFFFAOYSA-N
XLogP3.41
TPSA62.55 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.44
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

2-[butanoyl(furan-2-ylmethyl)amino]-N-cyclohexylbutanamide
CID 163170695
2-[bis(furan-2-ylmethyl)amino]-N-cycloheptylacetamide
CID 27118894
N-cyclopentyl-2-[furan-2-ylmethyl-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]amino]butanamide
CID 3179915
(2S)-2-[(2-chloroacetyl)-(furan-2-ylmethyl)amino]-N-cyclohexyl-2-(2-methylphenyl)acetamide
CID 51393782
3-cyclobutyl-1-ethyl-1-(furan-2-ylmethyl)urea
CID 115617674
N-ethyl-N-(furan-2-ylmethyl)but-2-enamide
CID 112727369
N-cyclopentyl-2-[[2-[5-(3,4-dimethoxyphenyl)tetrazol-2-yl]acetyl]-(furan-2-ylmethyl)amino]butanamide
CID 23795781
2-[acetyl(furan-2-ylmethyl)amino]-N-cycloheptylacetamide
CID 113161038
N-[2-(cyclohexylamino)-1-(4-fluorophenyl)-2-oxoethyl]-N-(furan-2-ylmethyl)furan-2-carboxamide
CID 3191378
N-cyclohexyl-2-(4-ethoxyphenyl)-2-[furan-2-ylmethyl-(2-thiophen-2-ylacetyl)amino]acetamide
CID 3190993
N-cyclopentyl-2-(furan-2-yl)acetamide
CID 110690587
2-[(2-chloroacetyl)-(furan-2-ylmethyl)amino]-N-cycloheptyl-2-(3-methoxy-4-propoxyphenyl)acetamide
CID 86810222

Frequently Asked Questions

What is the IUPAC name of 2-[but-2-enoyl(furan-2-ylmethyl)amino]-N-cyclohexylbutanamide?
The IUPAC name of 2-[but-2-enoyl(furan-2-ylmethyl)amino]-N-cyclohexylbutanamide (CID 163176199) is 2-[but-2-enoyl(furan-2-ylmethyl)amino]-N-cyclohexylbutanamide.
What is the SMILES notation for 2-[but-2-enoyl(furan-2-ylmethyl)amino]-N-cyclohexylbutanamide?
The canonical SMILES for 2-[but-2-enoyl(furan-2-ylmethyl)amino]-N-cyclohexylbutanamide is CC=CC(=O)N(Cc1ccco1)C(CC)C(=O)NC1CCCCC1.
What is the InChIKey of 2-[but-2-enoyl(furan-2-ylmethyl)amino]-N-cyclohexylbutanamide?
The InChIKey is XITNMQJGKQRBFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2O3/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/h3,8-9,12-13,15,17H,4-7,10-11,14H2,1-2H3,(H,20,23).
What are the key properties of 2-[but-2-enoyl(furan-2-ylmethyl)amino]-N-cyclohexylbutanamide?
2-[but-2-enoyl(furan-2-ylmethyl)amino]-N-cyclohexylbutanamide has a molecular weight of 332.44 g/mol, XLogP of 3.41, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[but-2-enoyl(furan-2-ylmethyl)amino]-N-cyclohexylbutanamide is sourced from PubChem (CID 163176199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).