(2R,3S)-N-[4-(2-amino-2-oxoethyl)phenyl]-3-methyl-2-phenylpentanamide

C20H24N2O2 — CID 95310454

IUPAC(2R,3S)-N-[4-(2-amino-2-oxoethyl)phenyl]-3-methyl-2-phenylpentanamide
SMILESCC[C@H](C)[C@@H](C(=O)Nc1ccc(CC(N)=O)cc1)c1ccccc1
InChIInChI=1S/C20H24N2O2/c1-3-14(2)19(16-7-5-4-6-8-16)20(24)22-17-11-9-15(10-12-17)13-18(21)23/h4-12,14,19H,3,13H2,1-2H3,(H2,21,23)(H,22,24)/t14-,19+/m0/s1
InChIKeyLBJOTSIMOHVTCI-IFXJQAMLSA-N
MW324.42 g/mol
LogP3.48
Rot. Bonds7

About (2R,3S)-N-[4-(2-amino-2-oxoethyl)phenyl]-3-methyl-2-phenylpentanamide

(2R,3S)-N-[4-(2-amino-2-oxoethyl)phenyl]-3-methyl-2-phenylpentanamide (PubChem CID 95310454) has the molecular formula C20H24N2O2 and a molecular weight of 324.42 g/mol. Its IUPAC name is (2R,3S)-N-[4-(2-amino-2-oxoethyl)phenyl]-3-methyl-2-phenylpentanamide.

Molecular Properties

Compound Name(2R,3S)-N-[4-(2-amino-2-oxoethyl)phenyl]-3-methyl-2-phenylpentanamide
PubChem CID95310454
Molecular FormulaC20H24N2O2
Molecular Weight324.42 g/mol
Exact Mass324.18
IUPAC Name(2R,3S)-N-[4-(2-amino-2-oxoethyl)phenyl]-3-methyl-2-phenylpentanamide
SMILESCC[C@H](C)[C@@H](C(=O)Nc1ccc(CC(N)=O)cc1)c1ccccc1
InChIInChI=1S/C20H24N2O2/c1-3-14(2)19(16-7-5-4-6-8-16)20(24)22-17-11-9-15(10-12-17)13-18(21)23/h4-12,14,19H,3,13H2,1-2H3,(H2,21,23)(H,22,24)/t14-,19+/m0/s1
InChIKeyLBJOTSIMOHVTCI-IFXJQAMLSA-N
XLogP3.48
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.42
LogP ≤ 53.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2S,3S)-N-[4-[(2,5-dioxopyrrolidin-1-yl)methyl]phenyl]-3-methyl-2-phenylpentanamide
CID 51933857
(2S,3S)-N-[4-(difluoromethoxy)phenyl]-3-methyl-2-phenylpentanamide
CID 8502612
(2S,3S)-N-[4-(dimethylsulfamoyl)phenyl]-3-methyl-2-phenylpentanamide
CID 25484071
3-methyl-2-phenyl-N-[4-(1,2,4-triazol-1-ylmethyl)phenyl]pentanamide
CID 78858162
(2R,3R)-N-(1,3-benzodioxol-5-yl)-3-methyl-2-phenylpentanamide
CID 8700986
3-methyl-N-[2-methyl-5-(2-methylpropanoylamino)phenyl]-2-phenylpentanamide
CID 55765150
3-amino-N-[4-(2-amino-2-oxoethyl)phenyl]-2-methylpropanamide
CID 62671203
2-[4-(3-methylpentan-2-ylamino)phenyl]acetamide
CID 43724019
N-[3-[(dimethylamino)methyl]phenyl]-3-methyl-2-phenylpentanamide
CID 78862850
[2-(4-acetamidoanilino)-2-oxoethyl] (2S,3S)-3-methyl-2-phenylpentanoate
CID 7773183
2-[4-(phenylcarbamoylamino)phenyl]acetamide
CID 47248811
2-[4-[[(2S)-2-phenylbutanoyl]amino]phenyl]acetate
CID 6955755

Frequently Asked Questions

What is the IUPAC name of (2R,3S)-N-[4-(2-amino-2-oxoethyl)phenyl]-3-methyl-2-phenylpentanamide?
The IUPAC name of (2R,3S)-N-[4-(2-amino-2-oxoethyl)phenyl]-3-methyl-2-phenylpentanamide (CID 95310454) is (2R,3S)-N-[4-(2-amino-2-oxoethyl)phenyl]-3-methyl-2-phenylpentanamide.
What is the SMILES notation for (2R,3S)-N-[4-(2-amino-2-oxoethyl)phenyl]-3-methyl-2-phenylpentanamide?
The canonical SMILES for (2R,3S)-N-[4-(2-amino-2-oxoethyl)phenyl]-3-methyl-2-phenylpentanamide is CC[C@H](C)[C@@H](C(=O)Nc1ccc(CC(N)=O)cc1)c1ccccc1.
What is the InChIKey of (2R,3S)-N-[4-(2-amino-2-oxoethyl)phenyl]-3-methyl-2-phenylpentanamide?
The InChIKey is LBJOTSIMOHVTCI-IFXJQAMLSA-N. The full InChI is InChI=1S/C20H24N2O2/c1-3-14(2)19(16-7-5-4-6-8-16)20(24)22-17-11-9-15(10-12-17)13-18(21)23/h4-12,14,19H,3,13H2,1-2H3,(H2,21,23)(H,22,24)/t14-,19+/m0/s1.
What are the key properties of (2R,3S)-N-[4-(2-amino-2-oxoethyl)phenyl]-3-methyl-2-phenylpentanamide?
(2R,3S)-N-[4-(2-amino-2-oxoethyl)phenyl]-3-methyl-2-phenylpentanamide has a molecular weight of 324.42 g/mol, XLogP of 3.48, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S)-N-[4-(2-amino-2-oxoethyl)phenyl]-3-methyl-2-phenylpentanamide is sourced from PubChem (CID 95310454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).