(2S,3S)-N-[4-[(2,5-dioxopyrrolidin-1-yl)methyl]phenyl]-3-methyl-2-phenylpentanamide

C23H26N2O3 — CID 51933857

IUPAC(2S,3S)-N-[4-[(2,5-dioxopyrrolidin-1-yl)methyl]phenyl]-3-methyl-2-phenylpentanamide
SMILESCC[C@H](C)[C@H](C(=O)Nc1ccc(CN2C(=O)CCC2=O)cc1)c1ccccc1
InChIInChI=1S/C23H26N2O3/c1-3-16(2)22(18-7-5-4-6-8-18)23(28)24-19-11-9-17(10-12-19)15-25-20(26)13-14-21(25)27/h4-12,16,22H,3,13-15H2,1-2H3,(H,24,28)/t16-,22-/m0/s1
InChIKeyMROWKXRNYALGBN-AOMKIAJQSA-N
MW378.47 g/mol
LogP4.10
Rot. Bonds7

About (2S,3S)-N-[4-[(2,5-dioxopyrrolidin-1-yl)methyl]phenyl]-3-methyl-2-phenylpentanamide

(2S,3S)-N-[4-[(2,5-dioxopyrrolidin-1-yl)methyl]phenyl]-3-methyl-2-phenylpentanamide (PubChem CID 51933857) has the molecular formula C23H26N2O3 and a molecular weight of 378.47 g/mol. Its IUPAC name is (2S,3S)-N-[4-[(2,5-dioxopyrrolidin-1-yl)methyl]phenyl]-3-methyl-2-phenylpentanamide.

Molecular Properties

Compound Name(2S,3S)-N-[4-[(2,5-dioxopyrrolidin-1-yl)methyl]phenyl]-3-methyl-2-phenylpentanamide
PubChem CID51933857
Molecular FormulaC23H26N2O3
Molecular Weight378.47 g/mol
Exact Mass378.19
IUPAC Name(2S,3S)-N-[4-[(2,5-dioxopyrrolidin-1-yl)methyl]phenyl]-3-methyl-2-phenylpentanamide
SMILESCC[C@H](C)[C@H](C(=O)Nc1ccc(CN2C(=O)CCC2=O)cc1)c1ccccc1
InChIInChI=1S/C23H26N2O3/c1-3-16(2)22(18-7-5-4-6-8-18)23(28)24-19-11-9-17(10-12-19)15-25-20(26)13-14-21(25)27/h4-12,16,22H,3,13-15H2,1-2H3,(H,24,28)/t16-,22-/m0/s1
InChIKeyMROWKXRNYALGBN-AOMKIAJQSA-N
XLogP4.10
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.47
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

2-amino-N-[4-[(2,5-dioxopyrrolidin-1-yl)methyl]phenyl]-3-methylpentanamide;hydrochloride
CID 119715529
N-[4-[(2,5-dioxopyrrolidin-1-yl)methyl]phenyl]-2-methylpropanamide
CID 35341089
(2R,3S)-N-[4-(2-amino-2-oxoethyl)phenyl]-3-methyl-2-phenylpentanamide
CID 95310454
3-methyl-2-phenyl-N-[4-(1,2,4-triazol-1-ylmethyl)phenyl]pentanamide
CID 78858162
N-[4-[(2,5-dioxopyrrolidin-1-yl)methyl]phenyl]-2-(3-hydroxyphenyl)propanamide
CID 166256025
(2S,3S)-N-[4-(difluoromethoxy)phenyl]-3-methyl-2-phenylpentanamide
CID 8502612
ethyl N-[1-[4-[(2,5-dioxopyrrolidin-1-yl)methyl]anilino]-3-methyl-1-oxobutan-2-yl]carbamate
CID 46431121
(2S,3S)-N-[4-(dimethylsulfamoyl)phenyl]-3-methyl-2-phenylpentanamide
CID 25484071
(2R,3R)-N-(1,3-benzodioxol-5-yl)-3-methyl-2-phenylpentanamide
CID 8700986
N-(1-benzyl-2-oxo-3,4-dihydroquinolin-6-yl)-2-ethylbutanamide
CID 16926863
N-[4-[(2,5-dioxopyrrolidin-1-yl)methyl]phenyl]-3-methylbut-2-enamide
CID 30804626
2-(benzylcarbamoylamino)-N-[4-[(2,5-dioxopyrrolidin-1-yl)methyl]phenyl]acetamide
CID 46584862

Frequently Asked Questions

What is the IUPAC name of (2S,3S)-N-[4-[(2,5-dioxopyrrolidin-1-yl)methyl]phenyl]-3-methyl-2-phenylpentanamide?
The IUPAC name of (2S,3S)-N-[4-[(2,5-dioxopyrrolidin-1-yl)methyl]phenyl]-3-methyl-2-phenylpentanamide (CID 51933857) is (2S,3S)-N-[4-[(2,5-dioxopyrrolidin-1-yl)methyl]phenyl]-3-methyl-2-phenylpentanamide.
What is the SMILES notation for (2S,3S)-N-[4-[(2,5-dioxopyrrolidin-1-yl)methyl]phenyl]-3-methyl-2-phenylpentanamide?
The canonical SMILES for (2S,3S)-N-[4-[(2,5-dioxopyrrolidin-1-yl)methyl]phenyl]-3-methyl-2-phenylpentanamide is CC[C@H](C)[C@H](C(=O)Nc1ccc(CN2C(=O)CCC2=O)cc1)c1ccccc1.
What is the InChIKey of (2S,3S)-N-[4-[(2,5-dioxopyrrolidin-1-yl)methyl]phenyl]-3-methyl-2-phenylpentanamide?
The InChIKey is MROWKXRNYALGBN-AOMKIAJQSA-N. The full InChI is InChI=1S/C23H26N2O3/c1-3-16(2)22(18-7-5-4-6-8-18)23(28)24-19-11-9-17(10-12-19)15-25-20(26)13-14-21(25)27/h4-12,16,22H,3,13-15H2,1-2H3,(H,24,28)/t16-,22-/m0/s1.
What are the key properties of (2S,3S)-N-[4-[(2,5-dioxopyrrolidin-1-yl)methyl]phenyl]-3-methyl-2-phenylpentanamide?
(2S,3S)-N-[4-[(2,5-dioxopyrrolidin-1-yl)methyl]phenyl]-3-methyl-2-phenylpentanamide has a molecular weight of 378.47 g/mol, XLogP of 4.10, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S)-N-[4-[(2,5-dioxopyrrolidin-1-yl)methyl]phenyl]-3-methyl-2-phenylpentanamide is sourced from PubChem (CID 51933857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).