(2S)-N-cyclopropyl-2-[[(S)-furan-2-yl(phenyl)methyl]amino]-2-phenylacetamide

C22H22N2O2 — CID 8756132

IUPAC(2S)-N-cyclopropyl-2-[[(S)-furan-2-yl(phenyl)methyl]amino]-2-phenylacetamide
SMILESO=C(NC1CC1)[C@@H](N[C@@H](c1ccccc1)c1ccco1)c1ccccc1
InChIInChI=1S/C22H22N2O2/c25-22(23-18-13-14-18)21(17-10-5-2-6-11-17)24-20(19-12-7-15-26-19)16-8-3-1-4-9-16/h1-12,15,18,20-21,24H,13-14H2,(H,23,25)/t20-,21-/m0/s1
InChIKeyZDKDGKYFCXLKJX-SFTDATJTSA-N
MW346.43 g/mol
LogP3.98
Rot. Bonds7

About (2S)-N-cyclopropyl-2-[[(S)-furan-2-yl(phenyl)methyl]amino]-2-phenylacetamide

(2S)-N-cyclopropyl-2-[[(S)-furan-2-yl(phenyl)methyl]amino]-2-phenylacetamide (PubChem CID 8756132) has the molecular formula C22H22N2O2 and a molecular weight of 346.43 g/mol. Its IUPAC name is (2S)-N-cyclopropyl-2-[[(S)-furan-2-yl(phenyl)methyl]amino]-2-phenylacetamide.

Molecular Properties

Compound Name(2S)-N-cyclopropyl-2-[[(S)-furan-2-yl(phenyl)methyl]amino]-2-phenylacetamide
PubChem CID8756132
Molecular FormulaC22H22N2O2
Molecular Weight346.43 g/mol
Exact Mass346.17
IUPAC Name(2S)-N-cyclopropyl-2-[[(S)-furan-2-yl(phenyl)methyl]amino]-2-phenylacetamide
SMILESO=C(NC1CC1)[C@@H](N[C@@H](c1ccccc1)c1ccco1)c1ccccc1
InChIInChI=1S/C22H22N2O2/c25-22(23-18-13-14-18)21(17-10-5-2-6-11-17)24-20(19-12-7-15-26-19)16-8-3-1-4-9-16/h1-12,15,18,20-21,24H,13-14H2,(H,23,25)/t20-,21-/m0/s1
InChIKeyZDKDGKYFCXLKJX-SFTDATJTSA-N
XLogP3.98
TPSA54.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.43
LogP ≤ 53.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-N-carbamoyl-2-[[(S)-furan-2-yl(phenyl)methyl]amino]-2-phenylacetamide
CID 8755898
(2R)-N-cyclopropyl-2-phenyl-2-[[(S)-phenyl(thiophen-2-yl)methyl]amino]acetamide
CID 9051615
(2R)-2-[[(R)-furan-2-yl(phenyl)methyl]amino]-N-(methylcarbamoyl)-2-phenylacetamide
CID 8755514
(2S)-N-(4-fluorophenyl)-2-[[(R)-furan-2-yl(phenyl)methyl]amino]-2-phenylacetamide
CID 8755424
(2S)-2-[[(R)-furan-2-yl(phenyl)methyl]amino]-N-(4-methylphenyl)-2-phenylacetamide
CID 8755134
(2R)-2-[[(S)-furan-2-yl(phenyl)methyl]amino]-N,N-dimethyl-2-phenylacetamide
CID 8756342
[(1R)-2-(cyclopropylamino)-2-oxo-1-phenylethyl]-[(R)-furan-2-yl(phenyl)methyl]azanium
CID 8756137
(2R)-N-cyclopropyl-2-[[(1S)-3-methyl-1-phenylbutyl]amino]-2-phenylacetamide
CID 8646021
2-amino-N-cyclopropyl-2-(furan-2-yl)acetamide
CID 83529933
(2R)-2-[[(R)-furan-2-yl(phenyl)methyl]amino]-N-(3-methoxyphenyl)-2-phenylacetamide
CID 8696252
N-[4-[[(1S)-2-(cyclopropylamino)-2-oxo-1-phenylethyl]amino]phenyl]furan-2-carboxamide
CID 34277955
1-cyclopropyl-N-[furan-2-yl(phenyl)methyl]propan-1-amine
CID 64919705

Frequently Asked Questions

What is the IUPAC name of (2S)-N-cyclopropyl-2-[[(S)-furan-2-yl(phenyl)methyl]amino]-2-phenylacetamide?
The IUPAC name of (2S)-N-cyclopropyl-2-[[(S)-furan-2-yl(phenyl)methyl]amino]-2-phenylacetamide (CID 8756132) is (2S)-N-cyclopropyl-2-[[(S)-furan-2-yl(phenyl)methyl]amino]-2-phenylacetamide.
What is the SMILES notation for (2S)-N-cyclopropyl-2-[[(S)-furan-2-yl(phenyl)methyl]amino]-2-phenylacetamide?
The canonical SMILES for (2S)-N-cyclopropyl-2-[[(S)-furan-2-yl(phenyl)methyl]amino]-2-phenylacetamide is O=C(NC1CC1)[C@@H](N[C@@H](c1ccccc1)c1ccco1)c1ccccc1.
What is the InChIKey of (2S)-N-cyclopropyl-2-[[(S)-furan-2-yl(phenyl)methyl]amino]-2-phenylacetamide?
The InChIKey is ZDKDGKYFCXLKJX-SFTDATJTSA-N. The full InChI is InChI=1S/C22H22N2O2/c25-22(23-18-13-14-18)21(17-10-5-2-6-11-17)24-20(19-12-7-15-26-19)16-8-3-1-4-9-16/h1-12,15,18,20-21,24H,13-14H2,(H,23,25)/t20-,21-/m0/s1.
What are the key properties of (2S)-N-cyclopropyl-2-[[(S)-furan-2-yl(phenyl)methyl]amino]-2-phenylacetamide?
(2S)-N-cyclopropyl-2-[[(S)-furan-2-yl(phenyl)methyl]amino]-2-phenylacetamide has a molecular weight of 346.43 g/mol, XLogP of 3.98, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-cyclopropyl-2-[[(S)-furan-2-yl(phenyl)methyl]amino]-2-phenylacetamide is sourced from PubChem (CID 8756132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).