(2S)-2-[[(R)-furan-2-yl(phenyl)methyl]amino]-N-[(4-methoxyphenyl)methyl]propanamide

C22H24N2O3 — CID 8755264

IUPAC(2S)-2-[[(R)-furan-2-yl(phenyl)methyl]amino]-N-[(4-methoxyphenyl)methyl]propanamide
SMILESCOc1ccc(CNC(=O)[C@H](C)N[C@H](c2ccccc2)c2ccco2)cc1
InChIInChI=1S/C22H24N2O3/c1-16(22(25)23-15-17-10-12-19(26-2)13-11-17)24-21(20-9-6-14-27-20)18-7-4-3-5-8-18/h3-14,16,21,24H,15H2,1-2H3,(H,23,25)/t16-,21+/m0/s1
InChIKeyBORLSPXTOYJGIY-HRAATJIYSA-N
MW364.45 g/mol
LogP3.67
Rot. Bonds8

About (2S)-2-[[(R)-furan-2-yl(phenyl)methyl]amino]-N-[(4-methoxyphenyl)methyl]propanamide

(2S)-2-[[(R)-furan-2-yl(phenyl)methyl]amino]-N-[(4-methoxyphenyl)methyl]propanamide (PubChem CID 8755264) has the molecular formula C22H24N2O3 and a molecular weight of 364.45 g/mol. Its IUPAC name is (2S)-2-[[(R)-furan-2-yl(phenyl)methyl]amino]-N-[(4-methoxyphenyl)methyl]propanamide.

Molecular Properties

Compound Name(2S)-2-[[(R)-furan-2-yl(phenyl)methyl]amino]-N-[(4-methoxyphenyl)methyl]propanamide
PubChem CID8755264
Molecular FormulaC22H24N2O3
Molecular Weight364.45 g/mol
Exact Mass364.18
IUPAC Name(2S)-2-[[(R)-furan-2-yl(phenyl)methyl]amino]-N-[(4-methoxyphenyl)methyl]propanamide
SMILESCOc1ccc(CNC(=O)[C@H](C)N[C@H](c2ccccc2)c2ccco2)cc1
InChIInChI=1S/C22H24N2O3/c1-16(22(25)23-15-17-10-12-19(26-2)13-11-17)24-21(20-9-6-14-27-20)18-7-4-3-5-8-18/h3-14,16,21,24H,15H2,1-2H3,(H,23,25)/t16-,21+/m0/s1
InChIKeyBORLSPXTOYJGIY-HRAATJIYSA-N
XLogP3.67
TPSA63.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.45
LogP ≤ 53.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-2-(benzhydrylamino)-N-[2-(4-methoxyphenyl)ethyl]propanamide
CID 9445831
(2R)-N-[(4-methoxyphenyl)methyl]-2-(propan-2-ylamino)propanamide
CID 9114874
2-(benzhydrylamino)-N-[(4-methylphenyl)methyl]propanamide
CID 46631037
(2R)-2-[[(S)-(4-ethylphenyl)-thiophen-2-ylmethyl]amino]-N-[(4-methoxyphenyl)methyl]propanamide
CID 8769242
N-benzyl-2-[(4-methoxyphenyl)methylamino]-2-phenylacetamide
CID 68961679
(2S)-N-(furan-2-ylmethyl)-2-[[2-(4-methoxyphenyl)acetyl]amino]propanamide
CID 110348304
2-[[(1S)-1-(furan-2-yl)ethyl]amino]-N-[(R)-(4-methoxyphenyl)-phenylmethyl]acetamide
CID 8921188
N'-benzhydryl-N-[(4-methoxyphenyl)methyl]oxamide
CID 44902136
(2S)-2-hydroxy-N-[(4-methoxyphenyl)methyl]propanamide
CID 175748311
(2S)-2-[[(R)-furan-2-yl(phenyl)methyl]amino]-N-[4-(trifluoromethoxy)phenyl]propanamide
CID 8755382
N-benzyl-2-(4-methoxyphenyl)propanamide
CID 102432443
(2S)-2-(benzhydrylamino)-N-[(2-methoxyphenyl)methyl]propanamide
CID 9445893

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[[(R)-furan-2-yl(phenyl)methyl]amino]-N-[(4-methoxyphenyl)methyl]propanamide?
The IUPAC name of (2S)-2-[[(R)-furan-2-yl(phenyl)methyl]amino]-N-[(4-methoxyphenyl)methyl]propanamide (CID 8755264) is (2S)-2-[[(R)-furan-2-yl(phenyl)methyl]amino]-N-[(4-methoxyphenyl)methyl]propanamide.
What is the SMILES notation for (2S)-2-[[(R)-furan-2-yl(phenyl)methyl]amino]-N-[(4-methoxyphenyl)methyl]propanamide?
The canonical SMILES for (2S)-2-[[(R)-furan-2-yl(phenyl)methyl]amino]-N-[(4-methoxyphenyl)methyl]propanamide is COc1ccc(CNC(=O)[C@H](C)N[C@H](c2ccccc2)c2ccco2)cc1.
What is the InChIKey of (2S)-2-[[(R)-furan-2-yl(phenyl)methyl]amino]-N-[(4-methoxyphenyl)methyl]propanamide?
The InChIKey is BORLSPXTOYJGIY-HRAATJIYSA-N. The full InChI is InChI=1S/C22H24N2O3/c1-16(22(25)23-15-17-10-12-19(26-2)13-11-17)24-21(20-9-6-14-27-20)18-7-4-3-5-8-18/h3-14,16,21,24H,15H2,1-2H3,(H,23,25)/t16-,21+/m0/s1.
What are the key properties of (2S)-2-[[(R)-furan-2-yl(phenyl)methyl]amino]-N-[(4-methoxyphenyl)methyl]propanamide?
(2S)-2-[[(R)-furan-2-yl(phenyl)methyl]amino]-N-[(4-methoxyphenyl)methyl]propanamide has a molecular weight of 364.45 g/mol, XLogP of 3.67, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[[(R)-furan-2-yl(phenyl)methyl]amino]-N-[(4-methoxyphenyl)methyl]propanamide is sourced from PubChem (CID 8755264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).