N-[(1S)-1-(furan-2-yl)ethyl]-2-(methylamino)benzamide

C14H16N2O2 — CID 81399463

IUPACN-[(1S)-1-(furan-2-yl)ethyl]-2-(methylamino)benzamide
SMILESCNc1ccccc1C(=O)N[C@@H](C)c1ccco1
InChIInChI=1S/C14H16N2O2/c1-10(13-8-5-9-18-13)16-14(17)11-6-3-4-7-12(11)15-2/h3-10,15H,1-2H3,(H,16,17)/t10-/m0/s1
InChIKeyVJPMNNNFGYKADS-JTQLQIEISA-N
MW244.29 g/mol
LogP2.81
Rot. Bonds4

About N-[(1S)-1-(furan-2-yl)ethyl]-2-(methylamino)benzamide

N-[(1S)-1-(furan-2-yl)ethyl]-2-(methylamino)benzamide (PubChem CID 81399463) has the molecular formula C14H16N2O2 and a molecular weight of 244.29 g/mol. Its IUPAC name is N-[(1S)-1-(furan-2-yl)ethyl]-2-(methylamino)benzamide.

Molecular Properties

Compound NameN-[(1S)-1-(furan-2-yl)ethyl]-2-(methylamino)benzamide
PubChem CID81399463
Molecular FormulaC14H16N2O2
Molecular Weight244.29 g/mol
Exact Mass244.12
IUPAC NameN-[(1S)-1-(furan-2-yl)ethyl]-2-(methylamino)benzamide
SMILESCNc1ccccc1C(=O)N[C@@H](C)c1ccco1
InChIInChI=1S/C14H16N2O2/c1-10(13-8-5-9-18-13)16-14(17)11-6-3-4-7-12(11)15-2/h3-10,15H,1-2H3,(H,16,17)/t10-/m0/s1
InChIKeyVJPMNNNFGYKADS-JTQLQIEISA-N
XLogP2.81
TPSA54.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.29
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(ethylamino)-N-[1-(furan-2-yl)ethyl]benzamide
CID 62169362
2-chloro-N-[1-(furan-2-yl)ethyl]benzamide
CID 18116836
N-[1-(furan-2-yl)ethyl]-2-oxo-1H-pyridine-3-carboxamide
CID 18116946
N-[1-(furan-2-yl)ethyl]-2-(methylamino)-5-nitrobenzamide
CID 18116900
2-amino-N-[1-(furan-2-yl)ethyl]pyridine-3-carboxamide
CID 62073819
N-[1-(furan-2-yl)ethyl]-1H-indole-4-carboxamide
CID 43581973
N-[(1R)-1-(2-chlorophenyl)ethyl]-2-(methylamino)benzamide
CID 81379610
N-[1-(2-bromophenyl)ethyl]-2-(methylamino)benzamide
CID 60706338
2-(methylamino)-N-[(1R)-1-pyridin-2-ylethyl]benzamide
CID 81406697
3-amino-N-[(1R)-1-(furan-2-yl)ethyl]naphthalene-2-carboxamide
CID 81392741
N-[(1S)-1-(furan-2-yl)ethyl]-6-methyl-2-oxo-1H-pyridine-3-carboxamide
CID 95976314
N-[(1R)-1-(2-methoxyphenyl)ethyl]-2-(methylamino)benzamide
CID 81390779

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(furan-2-yl)ethyl]-2-(methylamino)benzamide?
The IUPAC name of N-[(1S)-1-(furan-2-yl)ethyl]-2-(methylamino)benzamide (CID 81399463) is N-[(1S)-1-(furan-2-yl)ethyl]-2-(methylamino)benzamide.
What is the SMILES notation for N-[(1S)-1-(furan-2-yl)ethyl]-2-(methylamino)benzamide?
The canonical SMILES for N-[(1S)-1-(furan-2-yl)ethyl]-2-(methylamino)benzamide is CNc1ccccc1C(=O)N[C@@H](C)c1ccco1.
What is the InChIKey of N-[(1S)-1-(furan-2-yl)ethyl]-2-(methylamino)benzamide?
The InChIKey is VJPMNNNFGYKADS-JTQLQIEISA-N. The full InChI is InChI=1S/C14H16N2O2/c1-10(13-8-5-9-18-13)16-14(17)11-6-3-4-7-12(11)15-2/h3-10,15H,1-2H3,(H,16,17)/t10-/m0/s1.
What are the key properties of N-[(1S)-1-(furan-2-yl)ethyl]-2-(methylamino)benzamide?
N-[(1S)-1-(furan-2-yl)ethyl]-2-(methylamino)benzamide has a molecular weight of 244.29 g/mol, XLogP of 2.81, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-(furan-2-yl)ethyl]-2-(methylamino)benzamide is sourced from PubChem (CID 81399463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).