2-[4-(furan-2-carbonyl)-1,4-diazepan-1-yl]-N-prop-2-enylpropanamide

C16H23N3O3 — CID 138379082

IUPAC2-[4-(furan-2-carbonyl)-1,4-diazepan-1-yl]-N-prop-2-enylpropanamide
SMILESC=CCNC(=O)C(C)N1CCCN(C(=O)c2ccco2)CC1
InChIInChI=1S/C16H23N3O3/c1-3-7-17-15(20)13(2)18-8-5-9-19(11-10-18)16(21)14-6-4-12-22-14/h3-4,6,12-13H,1,5,7-11H2,2H3,(H,17,20)
InChIKeyZASWLFUIBIUIJE-UHFFFAOYSA-N
MW305.38 g/mol
LogP1.12
Rot. Bonds5

About 2-[4-(furan-2-carbonyl)-1,4-diazepan-1-yl]-N-prop-2-enylpropanamide

2-[4-(furan-2-carbonyl)-1,4-diazepan-1-yl]-N-prop-2-enylpropanamide (PubChem CID 138379082) has the molecular formula C16H23N3O3 and a molecular weight of 305.38 g/mol. Its IUPAC name is 2-[4-(furan-2-carbonyl)-1,4-diazepan-1-yl]-N-prop-2-enylpropanamide.

Molecular Properties

Compound Name2-[4-(furan-2-carbonyl)-1,4-diazepan-1-yl]-N-prop-2-enylpropanamide
PubChem CID138379082
Molecular FormulaC16H23N3O3
Molecular Weight305.38 g/mol
Exact Mass305.17
IUPAC Name2-[4-(furan-2-carbonyl)-1,4-diazepan-1-yl]-N-prop-2-enylpropanamide
SMILESC=CCNC(=O)C(C)N1CCCN(C(=O)c2ccco2)CC1
InChIInChI=1S/C16H23N3O3/c1-3-7-17-15(20)13(2)18-8-5-9-19(11-10-18)16(21)14-6-4-12-22-14/h3-4,6,12-13H,1,5,7-11H2,2H3,(H,17,20)
InChIKeyZASWLFUIBIUIJE-UHFFFAOYSA-N
XLogP1.12
TPSA65.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.38
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[4-(furan-2-carbonyl)piperazin-1-yl]-N-prop-2-enylpropanamide
CID 46744287
(2R)-2-[4-(furan-3-carbonyl)piperazin-1-yl]-N-prop-2-enylpropanamide
CID 34952537
(2S)-N-[(2-fluorophenyl)methyl]-2-[4-(furan-2-carbonyl)piperazin-1-yl]propanamide
CID 37377039
2-[4-(furan-2-carbonyl)piperazin-1-yl]-N-(4-methylphenyl)propanamide
CID 4881494
2-[4-(furan-2-carbonyl)piperazin-1-yl]-N-(1-phenylethyl)propanamide
CID 46162177
(2S)-N-(2,6-dimethylphenyl)-2-[4-(furan-2-carbonyl)piperazin-1-yl]propanamide
CID 9431836
1-[4-(furan-2-carbonyl)-1,4-diazepan-1-yl]-2-methylpropan-1-one
CID 110796817
furan-2-yl-(4-prop-2-enyl-1,4-diazepan-1-yl)methanone
CID 95750017
1-[4-(furan-2-carbonyl)piperazine-1-carbonyl]-N-prop-2-enylcyclopropane-1-carboxamide
CID 108970845
2-[[[4-(furan-2-carbonyl)piperazin-1-yl]-(prop-2-enylamino)methylidene]amino]-N,N-dimethylacetamide
CID 111166625
(2R)-N-(2,4-dimethylphenyl)-2-[4-(furan-2-carbonyl)piperazin-1-yl]propanamide
CID 9431689
furan-2-yl-(4-pentan-2-ylpiperazin-1-yl)methanone
CID 156542085

Frequently Asked Questions

What is the IUPAC name of 2-[4-(furan-2-carbonyl)-1,4-diazepan-1-yl]-N-prop-2-enylpropanamide?
The IUPAC name of 2-[4-(furan-2-carbonyl)-1,4-diazepan-1-yl]-N-prop-2-enylpropanamide (CID 138379082) is 2-[4-(furan-2-carbonyl)-1,4-diazepan-1-yl]-N-prop-2-enylpropanamide.
What is the SMILES notation for 2-[4-(furan-2-carbonyl)-1,4-diazepan-1-yl]-N-prop-2-enylpropanamide?
The canonical SMILES for 2-[4-(furan-2-carbonyl)-1,4-diazepan-1-yl]-N-prop-2-enylpropanamide is C=CCNC(=O)C(C)N1CCCN(C(=O)c2ccco2)CC1.
What is the InChIKey of 2-[4-(furan-2-carbonyl)-1,4-diazepan-1-yl]-N-prop-2-enylpropanamide?
The InChIKey is ZASWLFUIBIUIJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O3/c1-3-7-17-15(20)13(2)18-8-5-9-19(11-10-18)16(21)14-6-4-12-22-14/h3-4,6,12-13H,1,5,7-11H2,2H3,(H,17,20).
What are the key properties of 2-[4-(furan-2-carbonyl)-1,4-diazepan-1-yl]-N-prop-2-enylpropanamide?
2-[4-(furan-2-carbonyl)-1,4-diazepan-1-yl]-N-prop-2-enylpropanamide has a molecular weight of 305.38 g/mol, XLogP of 1.12, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(furan-2-carbonyl)-1,4-diazepan-1-yl]-N-prop-2-enylpropanamide is sourced from PubChem (CID 138379082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).