2-[[[(1R)-1-(furan-2-yl)ethyl]amino]methyl]benzamide

C14H16N2O2 — CID 81401144

IUPAC2-[[[(1R)-1-(furan-2-yl)ethyl]amino]methyl]benzamide
SMILESC[C@@H](NCc1ccccc1C(N)=O)c1ccco1
InChIInChI=1S/C14H16N2O2/c1-10(13-7-4-8-18-13)16-9-11-5-2-3-6-12(11)14(15)17/h2-8,10,16H,9H2,1H3,(H2,15,17)/t10-/m1/s1
InChIKeyDFWHQDVRAIWQGB-SNVBAGLBSA-N
MW244.29 g/mol
LogP2.23
Rot. Bonds5

About 2-[[[(1R)-1-(furan-2-yl)ethyl]amino]methyl]benzamide

2-[[[(1R)-1-(furan-2-yl)ethyl]amino]methyl]benzamide (PubChem CID 81401144) has the molecular formula C14H16N2O2 and a molecular weight of 244.29 g/mol. Its IUPAC name is 2-[[[(1R)-1-(furan-2-yl)ethyl]amino]methyl]benzamide.

Molecular Properties

Compound Name2-[[[(1R)-1-(furan-2-yl)ethyl]amino]methyl]benzamide
PubChem CID81401144
Molecular FormulaC14H16N2O2
Molecular Weight244.29 g/mol
Exact Mass244.12
IUPAC Name2-[[[(1R)-1-(furan-2-yl)ethyl]amino]methyl]benzamide
SMILESC[C@@H](NCc1ccccc1C(N)=O)c1ccco1
InChIInChI=1S/C14H16N2O2/c1-10(13-7-4-8-18-13)16-9-11-5-2-3-6-12(11)14(15)17/h2-8,10,16H,9H2,1H3,(H2,15,17)/t10-/m1/s1
InChIKeyDFWHQDVRAIWQGB-SNVBAGLBSA-N
XLogP2.23
TPSA68.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.29
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[[(1R)-1-(4-methylphenyl)ethyl]amino]methyl]benzamide
CID 81356256
2-fluoro-3-[[[(1R)-1-(furan-2-yl)ethyl]amino]methyl]-N'-hydroxybenzenecarboximidamide
CID 107117299
(1S)-1-(furan-2-yl)-N-(naphthalen-1-ylmethyl)ethanamine
CID 81403197
2-[[[(2S)-1-hydroxy-3-methylbutan-2-yl]amino]methyl]benzamide
CID 79248915
2-[[1-(5-chlorothiophen-2-yl)ethylamino]methyl]benzamide
CID 61469258
methyl 3-[[[(1R)-1-(furan-2-yl)ethyl]amino]methyl]furan-2-carboxylate
CID 81402967
2-[(1-methylsulfonylpropan-2-ylamino)methyl]benzamide
CID 64629794
N-carbamoyl-2-[1-(furan-2-yl)ethylamino]acetamide
CID 43401074
N-[(4-fluoro-2-methylphenyl)methyl]-1-(furan-2-yl)ethanamine
CID 62135238
2-[(pent-1-yn-3-ylamino)methyl]benzamide
CID 106229276
2-[[(1S)-1-(furan-2-yl)ethyl]amino]-N-[(2-methoxyphenyl)methyl]acetamide
CID 8917972
methyl 3-bromo-4-[[[(1R)-1-(furan-2-yl)ethyl]amino]methyl]benzoate
CID 102766785

Frequently Asked Questions

What is the IUPAC name of 2-[[[(1R)-1-(furan-2-yl)ethyl]amino]methyl]benzamide?
The IUPAC name of 2-[[[(1R)-1-(furan-2-yl)ethyl]amino]methyl]benzamide (CID 81401144) is 2-[[[(1R)-1-(furan-2-yl)ethyl]amino]methyl]benzamide.
What is the SMILES notation for 2-[[[(1R)-1-(furan-2-yl)ethyl]amino]methyl]benzamide?
The canonical SMILES for 2-[[[(1R)-1-(furan-2-yl)ethyl]amino]methyl]benzamide is C[C@@H](NCc1ccccc1C(N)=O)c1ccco1.
What is the InChIKey of 2-[[[(1R)-1-(furan-2-yl)ethyl]amino]methyl]benzamide?
The InChIKey is DFWHQDVRAIWQGB-SNVBAGLBSA-N. The full InChI is InChI=1S/C14H16N2O2/c1-10(13-7-4-8-18-13)16-9-11-5-2-3-6-12(11)14(15)17/h2-8,10,16H,9H2,1H3,(H2,15,17)/t10-/m1/s1.
What are the key properties of 2-[[[(1R)-1-(furan-2-yl)ethyl]amino]methyl]benzamide?
2-[[[(1R)-1-(furan-2-yl)ethyl]amino]methyl]benzamide has a molecular weight of 244.29 g/mol, XLogP of 2.23, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[[(1R)-1-(furan-2-yl)ethyl]amino]methyl]benzamide is sourced from PubChem (CID 81401144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).