(2S)-2-[[(R)-furan-2-yl(phenyl)methyl]amino]-N-(4-methylphenyl)-2-phenylacetamide

C26H24N2O2 — CID 8755134

IUPAC(2S)-2-[[(R)-furan-2-yl(phenyl)methyl]amino]-N-(4-methylphenyl)-2-phenylacetamide
SMILESCc1ccc(NC(=O)[C@@H](N[C@H](c2ccccc2)c2ccco2)c2ccccc2)cc1
InChIInChI=1S/C26H24N2O2/c1-19-14-16-22(17-15-19)27-26(29)25(21-11-6-3-7-12-21)28-24(23-13-8-18-30-23)20-9-4-2-5-10-20/h2-18,24-25,28H,1H3,(H,27,29)/t24-,25+/m1/s1
InChIKeyOCTZQCDAUNJMQB-RPBOFIJWSA-N
MW396.49 g/mol
LogP5.65
Rot. Bonds7

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

(2S)-2-[[(R)-furan-2-yl(phenyl)methyl]amino]-N-(4-methylphenyl)-2-phenylacetamide (PubChem CID 8755134) has the molecular formula C26H24N2O2 and a molecular weight of 396.49 g/mol. Its IUPAC name is (2S)-2-[[(R)-furan-2-yl(phenyl)methyl]amino]-N-(4-methylphenyl)-2-phenylacetamide.

Molecular Properties

Compound Name(2S)-2-[[(R)-furan-2-yl(phenyl)methyl]amino]-N-(4-methylphenyl)-2-phenylacetamide
PubChem CID8755134
Molecular FormulaC26H24N2O2
Molecular Weight396.49 g/mol
Exact Mass396.18
IUPAC Name(2S)-2-[[(R)-furan-2-yl(phenyl)methyl]amino]-N-(4-methylphenyl)-2-phenylacetamide
SMILESCc1ccc(NC(=O)[C@@H](N[C@H](c2ccccc2)c2ccco2)c2ccccc2)cc1
InChIInChI=1S/C26H24N2O2/c1-19-14-16-22(17-15-19)27-26(29)25(21-11-6-3-7-12-21)28-24(23-13-8-18-30-23)20-9-4-2-5-10-20/h2-18,24-25,28H,1H3,(H,27,29)/t24-,25+/m1/s1
InChIKeyOCTZQCDAUNJMQB-RPBOFIJWSA-N
XLogP5.65
TPSA54.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500396.49
LogP ≤ 55.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-N-(4-fluorophenyl)-2-[[(R)-furan-2-yl(phenyl)methyl]amino]-2-phenylacetamide
CID 8755424
(2R)-2-[[(R)-furan-2-yl(phenyl)methyl]amino]-N-(3-methoxyphenyl)-2-phenylacetamide
CID 8696252
(2R)-2-[[(R)-furan-2-yl(phenyl)methyl]amino]-N-(methylcarbamoyl)-2-phenylacetamide
CID 8755514
(2R)-N-(4-chlorophenyl)-2-[[(S)-furan-2-yl(phenyl)methyl]amino]propanamide
CID 8755480
(2R)-N-(4-chlorophenyl)-2-[[(R)-furan-2-yl(phenyl)methyl]amino]propanamide
CID 8755484
(2S)-N-(4-chlorophenyl)-2-[[(S)-furan-2-yl(phenyl)methyl]amino]propanamide
CID 8755478
(2R)-N-carbamoyl-2-[[(S)-furan-2-yl(phenyl)methyl]amino]-2-phenylacetamide
CID 8755898
(2R)-N-(3-chloro-4-methylphenyl)-2-[[(1R)-1-(furan-2-yl)ethyl]amino]-2-phenylacetamide
CID 8918904
(2S)-N-cyclopropyl-2-[[(S)-furan-2-yl(phenyl)methyl]amino]-2-phenylacetamide
CID 8756132
(2R)-2-[[(S)-furan-2-yl(phenyl)methyl]amino]-N,N-dimethyl-2-phenylacetamide
CID 8756342
(2S)-N-(4-cyanophenyl)-2-[[(R)-furan-2-yl(phenyl)methyl]amino]propanamide
CID 8755490
2-hydroxy-N-(4-methylphenyl)-2-phenylacetamide
CID 3709657

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[[(R)-furan-2-yl(phenyl)methyl]amino]-N-(4-methylphenyl)-2-phenylacetamide?
The IUPAC name of (2S)-2-[[(R)-furan-2-yl(phenyl)methyl]amino]-N-(4-methylphenyl)-2-phenylacetamide (CID 8755134) is (2S)-2-[[(R)-furan-2-yl(phenyl)methyl]amino]-N-(4-methylphenyl)-2-phenylacetamide.
What is the SMILES notation for (2S)-2-[[(R)-furan-2-yl(phenyl)methyl]amino]-N-(4-methylphenyl)-2-phenylacetamide?
The canonical SMILES for (2S)-2-[[(R)-furan-2-yl(phenyl)methyl]amino]-N-(4-methylphenyl)-2-phenylacetamide is Cc1ccc(NC(=O)[C@@H](N[C@H](c2ccccc2)c2ccco2)c2ccccc2)cc1.
What is the InChIKey of (2S)-2-[[(R)-furan-2-yl(phenyl)methyl]amino]-N-(4-methylphenyl)-2-phenylacetamide?
The InChIKey is OCTZQCDAUNJMQB-RPBOFIJWSA-N. The full InChI is InChI=1S/C26H24N2O2/c1-19-14-16-22(17-15-19)27-26(29)25(21-11-6-3-7-12-21)28-24(23-13-8-18-30-23)20-9-4-2-5-10-20/h2-18,24-25,28H,1H3,(H,27,29)/t24-,25+/m1/s1.
What are the key properties of (2S)-2-[[(R)-furan-2-yl(phenyl)methyl]amino]-N-(4-methylphenyl)-2-phenylacetamide?
(2S)-2-[[(R)-furan-2-yl(phenyl)methyl]amino]-N-(4-methylphenyl)-2-phenylacetamide has a molecular weight of 396.49 g/mol, XLogP of 5.65, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[[(R)-furan-2-yl(phenyl)methyl]amino]-N-(4-methylphenyl)-2-phenylacetamide is sourced from PubChem (CID 8755134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).