2-(furan-2-ylmethylamino)-N-(1-hydroxypent-4-en-2-yl)benzamide

C17H20N2O3 — CID 119051228

IUPAC2-(furan-2-ylmethylamino)-N-(1-hydroxypent-4-en-2-yl)benzamide
SMILESC=CCC(CO)NC(=O)c1ccccc1NCc1ccco1
InChIInChI=1S/C17H20N2O3/c1-2-6-13(12-20)19-17(21)15-8-3-4-9-16(15)18-11-14-7-5-10-22-14/h2-5,7-10,13,18,20H,1,6,11-12H2,(H,19,21)
InChIKeyCESZCUITGBGVSG-UHFFFAOYSA-N
MW300.36 g/mol
LogP2.56
Rot. Bonds8

About 2-(furan-2-ylmethylamino)-N-(1-hydroxypent-4-en-2-yl)benzamide

2-(furan-2-ylmethylamino)-N-(1-hydroxypent-4-en-2-yl)benzamide (PubChem CID 119051228) has the molecular formula C17H20N2O3 and a molecular weight of 300.36 g/mol. Its IUPAC name is 2-(furan-2-ylmethylamino)-N-(1-hydroxypent-4-en-2-yl)benzamide.

Molecular Properties

Compound Name2-(furan-2-ylmethylamino)-N-(1-hydroxypent-4-en-2-yl)benzamide
PubChem CID119051228
Molecular FormulaC17H20N2O3
Molecular Weight300.36 g/mol
Exact Mass300.15
IUPAC Name2-(furan-2-ylmethylamino)-N-(1-hydroxypent-4-en-2-yl)benzamide
SMILESC=CCC(CO)NC(=O)c1ccccc1NCc1ccco1
InChIInChI=1S/C17H20N2O3/c1-2-6-13(12-20)19-17(21)15-8-3-4-9-16(15)18-11-14-7-5-10-22-14/h2-5,7-10,13,18,20H,1,6,11-12H2,(H,19,21)
InChIKeyCESZCUITGBGVSG-UHFFFAOYSA-N
XLogP2.56
TPSA74.50 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.36
LogP ≤ 52.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(furan-2-ylmethylamino)-N-[(2R)-1-hydroxypent-4-en-2-yl]benzamide
CID 124842453
methyl 2-(furan-2-ylmethylamino)benzoate
CID 43087160
2-(ethylamino)-N-[1-(furan-2-yl)propan-2-yl]benzamide
CID 62179091
N,N'-bis[2-(furan-2-ylmethylcarbamoyl)phenyl]hexanediamide
CID 4938791
2-(furan-2-ylmethylamino)-N-(5-methyl-1H-imidazol-2-yl)benzamide
CID 84595360
[2-(3-methylbutan-2-ylamino)-2-oxoethyl] 2-(furan-2-ylmethylamino)benzoate
CID 42968380
[2-(furan-2-ylmethylamino)-2-oxoethyl] 2-(furan-2-ylmethylamino)benzoate
CID 7150042
[1-(4-bromophenyl)-1-oxopropan-2-yl] 2-(furan-2-ylmethylamino)benzoate
CID 18209067
N-[1-(furan-2-yl)-2-hydroxyethyl]-2-(pyridin-3-ylmethylamino)benzamide
CID 110004108
[2-oxo-2-(propan-2-ylcarbamoylamino)ethyl] 2-(furan-2-ylmethylamino)benzoate
CID 2613697
[2-oxo-2-(pentan-2-ylamino)ethyl] 2-(furan-2-ylmethylamino)benzoate
CID 18075738
N-(furan-2-ylmethyl)-2-(2-prop-2-enoxyanilino)acetamide
CID 54824255

Frequently Asked Questions

What is the IUPAC name of 2-(furan-2-ylmethylamino)-N-(1-hydroxypent-4-en-2-yl)benzamide?
The IUPAC name of 2-(furan-2-ylmethylamino)-N-(1-hydroxypent-4-en-2-yl)benzamide (CID 119051228) is 2-(furan-2-ylmethylamino)-N-(1-hydroxypent-4-en-2-yl)benzamide.
What is the SMILES notation for 2-(furan-2-ylmethylamino)-N-(1-hydroxypent-4-en-2-yl)benzamide?
The canonical SMILES for 2-(furan-2-ylmethylamino)-N-(1-hydroxypent-4-en-2-yl)benzamide is C=CCC(CO)NC(=O)c1ccccc1NCc1ccco1.
What is the InChIKey of 2-(furan-2-ylmethylamino)-N-(1-hydroxypent-4-en-2-yl)benzamide?
The InChIKey is CESZCUITGBGVSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O3/c1-2-6-13(12-20)19-17(21)15-8-3-4-9-16(15)18-11-14-7-5-10-22-14/h2-5,7-10,13,18,20H,1,6,11-12H2,(H,19,21).
What are the key properties of 2-(furan-2-ylmethylamino)-N-(1-hydroxypent-4-en-2-yl)benzamide?
2-(furan-2-ylmethylamino)-N-(1-hydroxypent-4-en-2-yl)benzamide has a molecular weight of 300.36 g/mol, XLogP of 2.56, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(furan-2-ylmethylamino)-N-(1-hydroxypent-4-en-2-yl)benzamide is sourced from PubChem (CID 119051228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).