3-amino-N-[4-(furan-2-yl)butan-2-yl]benzamide

C15H18N2O2 — CID 61249559

IUPAC3-amino-N-[4-(furan-2-yl)butan-2-yl]benzamide
SMILESCC(CCc1ccco1)NC(=O)c1cccc(N)c1
InChIInChI=1S/C15H18N2O2/c1-11(7-8-14-6-3-9-19-14)17-15(18)12-4-2-5-13(16)10-12/h2-6,9-11H,7-8,16H2,1H3,(H,17,18)
InChIKeyUWYOCWFMBGFTTM-UHFFFAOYSA-N
MW258.32 g/mol
LogP2.61
Rot. Bonds5

About 3-amino-N-[4-(furan-2-yl)butan-2-yl]benzamide

3-amino-N-[4-(furan-2-yl)butan-2-yl]benzamide (PubChem CID 61249559) has the molecular formula C15H18N2O2 and a molecular weight of 258.32 g/mol. Its IUPAC name is 3-amino-N-[4-(furan-2-yl)butan-2-yl]benzamide.

Molecular Properties

Compound Name3-amino-N-[4-(furan-2-yl)butan-2-yl]benzamide
PubChem CID61249559
Molecular FormulaC15H18N2O2
Molecular Weight258.32 g/mol
Exact Mass258.14
IUPAC Name3-amino-N-[4-(furan-2-yl)butan-2-yl]benzamide
SMILESCC(CCc1ccco1)NC(=O)c1cccc(N)c1
InChIInChI=1S/C15H18N2O2/c1-11(7-8-14-6-3-9-19-14)17-15(18)12-4-2-5-13(16)10-12/h2-6,9-11H,7-8,16H2,1H3,(H,17,18)
InChIKeyUWYOCWFMBGFTTM-UHFFFAOYSA-N
XLogP2.61
TPSA68.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[4-(furan-2-yl)butan-2-yl]-3-methylsulfonylbenzamide
CID 18162440
N-[4-(furan-2-yl)butan-2-yl]-3,4-dihydroxybenzamide
CID 103956281
N-[4-(furan-2-yl)butan-2-yl]-3,5-dihydroxybenzamide
CID 104938782
2-(aminomethyl)-N-[4-(furan-2-yl)butan-2-yl]pyridine-4-carboxamide
CID 114326274
3,5-difluoro-N-[4-(furan-2-yl)butan-2-yl]benzamide
CID 18162420
N-[4-(furan-2-yl)butan-2-yl]-2-oxo-1H-pyridine-4-carboxamide
CID 103763430
3-bromo-4-chloro-N-[4-(furan-2-yl)butan-2-yl]benzamide
CID 107999462
4-[(carbamoylamino)methyl]-N-[4-(furan-2-yl)butan-2-yl]benzamide
CID 47010072
3-amino-N-[(2S)-butan-2-yl]benzamide
CID 42427278
N-[4-(furan-2-yl)butan-2-yl]-3-hydroxy-4-methoxybenzamide
CID 79671902
4-(bromomethyl)-N-[4-(furan-2-yl)butan-2-yl]benzamide
CID 102851452
N-[4-(furan-2-yl)butan-2-yl]thiophene-3-carboxamide
CID 18194695

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[4-(furan-2-yl)butan-2-yl]benzamide?
The IUPAC name of 3-amino-N-[4-(furan-2-yl)butan-2-yl]benzamide (CID 61249559) is 3-amino-N-[4-(furan-2-yl)butan-2-yl]benzamide.
What is the SMILES notation for 3-amino-N-[4-(furan-2-yl)butan-2-yl]benzamide?
The canonical SMILES for 3-amino-N-[4-(furan-2-yl)butan-2-yl]benzamide is CC(CCc1ccco1)NC(=O)c1cccc(N)c1.
What is the InChIKey of 3-amino-N-[4-(furan-2-yl)butan-2-yl]benzamide?
The InChIKey is UWYOCWFMBGFTTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O2/c1-11(7-8-14-6-3-9-19-14)17-15(18)12-4-2-5-13(16)10-12/h2-6,9-11H,7-8,16H2,1H3,(H,17,18).
What are the key properties of 3-amino-N-[4-(furan-2-yl)butan-2-yl]benzamide?
3-amino-N-[4-(furan-2-yl)butan-2-yl]benzamide has a molecular weight of 258.32 g/mol, XLogP of 2.61, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[4-(furan-2-yl)butan-2-yl]benzamide is sourced from PubChem (CID 61249559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).