4-[(furan-2-ylmethylamino)methyl]-N-[2-[[(1S)-1-naphthalen-1-ylethyl]amino]-2-oxoethyl]benzamide

C27H27N3O3 — CID 142227119

IUPAC4-[(furan-2-ylmethylamino)methyl]-N-[2-[[(1S)-1-naphthalen-1-ylethyl]amino]-2-oxoethyl]benzamide
SMILESC[C@H](NC(=O)CNC(=O)c1ccc(CNCc2ccco2)cc1)c1cccc2ccccc12
InChIInChI=1S/C27H27N3O3/c1-19(24-10-4-7-21-6-2-3-9-25(21)24)30-26(31)18-29-27(32)22-13-11-20(12-14-22)16-28-17-23-8-5-15-33-23/h2-15,19,28H,16-18H2,1H3,(H,29,32)(H,30,31)/t19-/m0/s1
InChIKeyHRFOXNXYHIPZIV-IBGZPJMESA-N
MW441.53 g/mol
LogP4.33
Rot. Bonds9

About 4-[(furan-2-ylmethylamino)methyl]-N-[2-[[(1S)-1-naphthalen-1-ylethyl]amino]-2-oxoethyl]benzamide

4-[(furan-2-ylmethylamino)methyl]-N-[2-[[(1S)-1-naphthalen-1-ylethyl]amino]-2-oxoethyl]benzamide (PubChem CID 142227119) has the molecular formula C27H27N3O3 and a molecular weight of 441.53 g/mol. Its IUPAC name is 4-[(furan-2-ylmethylamino)methyl]-N-[2-[[(1S)-1-naphthalen-1-ylethyl]amino]-2-oxoethyl]benzamide.

Molecular Properties

Compound Name4-[(furan-2-ylmethylamino)methyl]-N-[2-[[(1S)-1-naphthalen-1-ylethyl]amino]-2-oxoethyl]benzamide
PubChem CID142227119
Molecular FormulaC27H27N3O3
Molecular Weight441.53 g/mol
Exact Mass441.21
IUPAC Name4-[(furan-2-ylmethylamino)methyl]-N-[2-[[(1S)-1-naphthalen-1-ylethyl]amino]-2-oxoethyl]benzamide
SMILESC[C@H](NC(=O)CNC(=O)c1ccc(CNCc2ccco2)cc1)c1cccc2ccccc12
InChIInChI=1S/C27H27N3O3/c1-19(24-10-4-7-21-6-2-3-9-25(21)24)30-26(31)18-29-27(32)22-13-11-20(12-14-22)16-28-17-23-8-5-15-33-23/h2-15,19,28H,16-18H2,1H3,(H,29,32)(H,30,31)/t19-/m0/s1
InChIKeyHRFOXNXYHIPZIV-IBGZPJMESA-N
XLogP4.33
TPSA83.37 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.53
LogP ≤ 54.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[(1R)-1-(furan-2-yl)ethyl]amino]-N-[(1S)-1-naphthalen-1-ylethyl]acetamide
CID 8922326
4-ethyl-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]benzamide
CID 17395333
N-benzyl-2-(furan-2-ylmethylamino)acetamide
CID 43084380
N-(1-naphthalen-1-ylethyl)propanamide
CID 13202765
N-(furan-2-ylmethyl)-2-naphthalen-1-ylacetamide
CID 823822
1-[[4-(anilinocarbamoyl)phenyl]methyl]-3-(1-naphthalen-1-ylethyl)urea
CID 69190689
N-[2-[[(1R)-1-(2-fluorophenyl)ethyl]amino]-2-oxoethyl]furan-2-carboxamide
CID 31194170
4-[(carbamoylamino)methyl]-N-[4-(furan-2-yl)butan-2-yl]benzamide
CID 47010072
N-[2-[1-(2-methoxyphenyl)ethylamino]-2-oxoethyl]furan-2-carboxamide
CID 24544918
N-[(4-chlorophenyl)methyl]-2-[[(1R)-1-naphthalen-1-ylethyl]amino]acetamide
CID 9396902
N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-2-naphthalen-2-ylacetamide
CID 17446251
N-[2-[1-(2-methylphenyl)ethylamino]-2-oxoethyl]benzamide
CID 42910539

Frequently Asked Questions

What is the IUPAC name of 4-[(furan-2-ylmethylamino)methyl]-N-[2-[[(1S)-1-naphthalen-1-ylethyl]amino]-2-oxoethyl]benzamide?
The IUPAC name of 4-[(furan-2-ylmethylamino)methyl]-N-[2-[[(1S)-1-naphthalen-1-ylethyl]amino]-2-oxoethyl]benzamide (CID 142227119) is 4-[(furan-2-ylmethylamino)methyl]-N-[2-[[(1S)-1-naphthalen-1-ylethyl]amino]-2-oxoethyl]benzamide.
What is the SMILES notation for 4-[(furan-2-ylmethylamino)methyl]-N-[2-[[(1S)-1-naphthalen-1-ylethyl]amino]-2-oxoethyl]benzamide?
The canonical SMILES for 4-[(furan-2-ylmethylamino)methyl]-N-[2-[[(1S)-1-naphthalen-1-ylethyl]amino]-2-oxoethyl]benzamide is C[C@H](NC(=O)CNC(=O)c1ccc(CNCc2ccco2)cc1)c1cccc2ccccc12.
What is the InChIKey of 4-[(furan-2-ylmethylamino)methyl]-N-[2-[[(1S)-1-naphthalen-1-ylethyl]amino]-2-oxoethyl]benzamide?
The InChIKey is HRFOXNXYHIPZIV-IBGZPJMESA-N. The full InChI is InChI=1S/C27H27N3O3/c1-19(24-10-4-7-21-6-2-3-9-25(21)24)30-26(31)18-29-27(32)22-13-11-20(12-14-22)16-28-17-23-8-5-15-33-23/h2-15,19,28H,16-18H2,1H3,(H,29,32)(H,30,31)/t19-/m0/s1.
What are the key properties of 4-[(furan-2-ylmethylamino)methyl]-N-[2-[[(1S)-1-naphthalen-1-ylethyl]amino]-2-oxoethyl]benzamide?
4-[(furan-2-ylmethylamino)methyl]-N-[2-[[(1S)-1-naphthalen-1-ylethyl]amino]-2-oxoethyl]benzamide has a molecular weight of 441.53 g/mol, XLogP of 4.33, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(furan-2-ylmethylamino)methyl]-N-[2-[[(1S)-1-naphthalen-1-ylethyl]amino]-2-oxoethyl]benzamide is sourced from PubChem (CID 142227119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).