N-[(1S)-2-amino-2-oxo-1-phenylethyl]-3-(5-phenylfuran-2-yl)propanamide

C21H20N2O3 — CID 42377200

IUPACN-[(1S)-2-amino-2-oxo-1-phenylethyl]-3-(5-phenylfuran-2-yl)propanamide
SMILESNC(=O)[C@@H](NC(=O)CCc1ccc(-c2ccccc2)o1)c1ccccc1
InChIInChI=1S/C21H20N2O3/c22-21(25)20(16-9-5-2-6-10-16)23-19(24)14-12-17-11-13-18(26-17)15-7-3-1-4-8-15/h1-11,13,20H,12,14H2,(H2,22,25)(H,23,24)/t20-/m0/s1
InChIKeySKGPCTMWJKONFQ-FQEVSTJZSA-N
MW348.40 g/mol
LogP3.22
Rot. Bonds7

About N-[(1S)-2-amino-2-oxo-1-phenylethyl]-3-(5-phenylfuran-2-yl)propanamide

N-[(1S)-2-amino-2-oxo-1-phenylethyl]-3-(5-phenylfuran-2-yl)propanamide (PubChem CID 42377200) has the molecular formula C21H20N2O3 and a molecular weight of 348.40 g/mol. Its IUPAC name is N-[(1S)-2-amino-2-oxo-1-phenylethyl]-3-(5-phenylfuran-2-yl)propanamide.

Molecular Properties

Compound NameN-[(1S)-2-amino-2-oxo-1-phenylethyl]-3-(5-phenylfuran-2-yl)propanamide
PubChem CID42377200
Molecular FormulaC21H20N2O3
Molecular Weight348.40 g/mol
Exact Mass348.15
IUPAC NameN-[(1S)-2-amino-2-oxo-1-phenylethyl]-3-(5-phenylfuran-2-yl)propanamide
SMILESNC(=O)[C@@H](NC(=O)CCc1ccc(-c2ccccc2)o1)c1ccccc1
InChIInChI=1S/C21H20N2O3/c22-21(25)20(16-9-5-2-6-10-16)23-19(24)14-12-17-11-13-18(26-17)15-7-3-1-4-8-15/h1-11,13,20H,12,14H2,(H2,22,25)(H,23,24)/t20-/m0/s1
InChIKeySKGPCTMWJKONFQ-FQEVSTJZSA-N
XLogP3.22
TPSA85.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.40
LogP ≤ 53.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-methyl-2-[3-(5-phenylfuran-2-yl)propanoylamino]pentanamide
CID 78773204
N-[(1R)-2-amino-2-oxo-1-phenylethyl]-3-(5-phenyl-1,3-oxazol-2-yl)propanamide
CID 41433405
N-[(1R)-2-amino-2-oxo-1-phenylethyl]-3-phenylpropanamide
CID 94514836
3-(5-phenylfuran-2-yl)-N-(2-phenylpropyl)propanamide
CID 42907748
N-tert-butyl-3-(5-phenylfuran-2-yl)propanamide
CID 51149871
(2S)-2-[[5-(4-chlorophenyl)furan-2-yl]methylamino]-2-phenylacetamide
CID 33475058
N-(4-hydroxy-2,2-dimethylpentyl)-3-(5-phenylfuran-2-yl)propanamide
CID 111480285
N-(3-phenoxypropyl)-3-(5-phenylfuran-2-yl)propanamide
CID 18120278
N-[2-hydroxy-2-(4-methoxyphenyl)ethyl]-3-(5-phenylfuran-2-yl)propanamide
CID 42959591
N-[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]-3-(5-phenylfuran-2-yl)propanamide
CID 17465652
N-[(1R)-2-amino-2-oxo-1-phenylethyl]-3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]propanamide
CID 41433415
N-(2-amino-2-oxo-1-phenylethyl)-3-(3-fluorophenyl)propanamide
CID 134026833

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-2-amino-2-oxo-1-phenylethyl]-3-(5-phenylfuran-2-yl)propanamide?
The IUPAC name of N-[(1S)-2-amino-2-oxo-1-phenylethyl]-3-(5-phenylfuran-2-yl)propanamide (CID 42377200) is N-[(1S)-2-amino-2-oxo-1-phenylethyl]-3-(5-phenylfuran-2-yl)propanamide.
What is the SMILES notation for N-[(1S)-2-amino-2-oxo-1-phenylethyl]-3-(5-phenylfuran-2-yl)propanamide?
The canonical SMILES for N-[(1S)-2-amino-2-oxo-1-phenylethyl]-3-(5-phenylfuran-2-yl)propanamide is NC(=O)[C@@H](NC(=O)CCc1ccc(-c2ccccc2)o1)c1ccccc1.
What is the InChIKey of N-[(1S)-2-amino-2-oxo-1-phenylethyl]-3-(5-phenylfuran-2-yl)propanamide?
The InChIKey is SKGPCTMWJKONFQ-FQEVSTJZSA-N. The full InChI is InChI=1S/C21H20N2O3/c22-21(25)20(16-9-5-2-6-10-16)23-19(24)14-12-17-11-13-18(26-17)15-7-3-1-4-8-15/h1-11,13,20H,12,14H2,(H2,22,25)(H,23,24)/t20-/m0/s1.
What are the key properties of N-[(1S)-2-amino-2-oxo-1-phenylethyl]-3-(5-phenylfuran-2-yl)propanamide?
N-[(1S)-2-amino-2-oxo-1-phenylethyl]-3-(5-phenylfuran-2-yl)propanamide has a molecular weight of 348.40 g/mol, XLogP of 3.22, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-2-amino-2-oxo-1-phenylethyl]-3-(5-phenylfuran-2-yl)propanamide is sourced from PubChem (CID 42377200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).