(2R)-N-[[(2S,3S)-1-methyl-5-oxo-2-phenylpyrrolidin-3-yl]methyl]-2-(3-methyl-4-propan-2-ylphenoxy)propanamide

C25H32N2O3 — CID 97261954

IUPAC(2R)-N-[[(2S,3S)-1-methyl-5-oxo-2-phenylpyrrolidin-3-yl]methyl]-2-(3-methyl-4-propan-2-ylphenoxy)propanamide
SMILESCc1cc(O[C@H](C)C(=O)NC[C@@H]2CC(=O)N(C)[C@@H]2c2ccccc2)ccc1C(C)C
InChIInChI=1S/C25H32N2O3/c1-16(2)22-12-11-21(13-17(22)3)30-18(4)25(29)26-15-20-14-23(28)27(5)24(20)19-9-7-6-8-10-19/h6-13,16,18,20,24H,14-15H2,1-5H3,(H,26,29)/t18-,20+,24-/m1/s1
InChIKeyLXZRJNAZVUDPJM-LJFZDNNRSA-N
MW408.54 g/mol
LogP4.22
Rot. Bonds7

About (2R)-N-[[(2S,3S)-1-methyl-5-oxo-2-phenylpyrrolidin-3-yl]methyl]-2-(3-methyl-4-propan-2-ylphenoxy)propanamide

(2R)-N-[[(2S,3S)-1-methyl-5-oxo-2-phenylpyrrolidin-3-yl]methyl]-2-(3-methyl-4-propan-2-ylphenoxy)propanamide (PubChem CID 97261954) has the molecular formula C25H32N2O3 and a molecular weight of 408.54 g/mol. Its IUPAC name is (2R)-N-[[(2S,3S)-1-methyl-5-oxo-2-phenylpyrrolidin-3-yl]methyl]-2-(3-methyl-4-propan-2-ylphenoxy)propanamide.

Molecular Properties

Compound Name(2R)-N-[[(2S,3S)-1-methyl-5-oxo-2-phenylpyrrolidin-3-yl]methyl]-2-(3-methyl-4-propan-2-ylphenoxy)propanamide
PubChem CID97261954
Molecular FormulaC25H32N2O3
Molecular Weight408.54 g/mol
Exact Mass408.24
IUPAC Name(2R)-N-[[(2S,3S)-1-methyl-5-oxo-2-phenylpyrrolidin-3-yl]methyl]-2-(3-methyl-4-propan-2-ylphenoxy)propanamide
SMILESCc1cc(O[C@H](C)C(=O)NC[C@@H]2CC(=O)N(C)[C@@H]2c2ccccc2)ccc1C(C)C
InChIInChI=1S/C25H32N2O3/c1-16(2)22-12-11-21(13-17(22)3)30-18(4)25(29)26-15-20-14-23(28)27(5)24(20)19-9-7-6-8-10-19/h6-13,16,18,20,24H,14-15H2,1-5H3,(H,26,29)/t18-,20+,24-/m1/s1
InChIKeyLXZRJNAZVUDPJM-LJFZDNNRSA-N
XLogP4.22
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.54
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(methylamino)ethyl]-2-(3-methyl-4-propan-2-ylphenoxy)propanamide;hydrochloride
CID 119504142
N-(2-aminoethyl)-2-(3-methyl-4-propan-2-ylphenoxy)propanamide
CID 119385381
2-[2-[2-(3-methyl-4-propan-2-ylphenoxy)propanoylamino]phenyl]acetic acid
CID 119218546
N-[2-[2-(3-methyl-4-propan-2-ylphenoxy)propanoylamino]ethyl]cyclohexanecarboxamide
CID 55805598
2-(3-methyl-4-propan-2-ylphenoxy)-N-[(6-methyl-2-pyridinyl)methyl]propanamide
CID 87041727
1-[4-(methylaminomethyl)piperidin-1-yl]-2-(3-methyl-4-propan-2-ylphenoxy)propan-1-one;hydrochloride
CID 119546769
N-[3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)propyl]-2-(3-methyl-4-propan-2-ylphenoxy)propanamide
CID 46492636
N-benzyl-1-[(2R)-2-(3-methyl-4-propan-2-ylphenoxy)propanoyl]piperidine-4-carboxamide
CID 51958452
2-(3-methyl-4-propan-2-ylphenoxy)-N-pyrrolidin-3-ylpropanamide;hydrochloride
CID 119454077
2-(3-methyl-4-propan-2-ylphenoxy)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]propanamide
CID 47048125
(4S,5R)-4-[[(6-ethoxypyrimidin-4-yl)amino]methyl]-1-methyl-5-phenylpyrrolidin-2-one
CID 99625706
2-[[N'-benzyl-N-[(1-methyl-5-oxo-2-phenylpyrrolidin-3-yl)methyl]carbamimidoyl]amino]-N,N-dimethylacetamide
CID 110036609

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[[(2S,3S)-1-methyl-5-oxo-2-phenylpyrrolidin-3-yl]methyl]-2-(3-methyl-4-propan-2-ylphenoxy)propanamide?
The IUPAC name of (2R)-N-[[(2S,3S)-1-methyl-5-oxo-2-phenylpyrrolidin-3-yl]methyl]-2-(3-methyl-4-propan-2-ylphenoxy)propanamide (CID 97261954) is (2R)-N-[[(2S,3S)-1-methyl-5-oxo-2-phenylpyrrolidin-3-yl]methyl]-2-(3-methyl-4-propan-2-ylphenoxy)propanamide.
What is the SMILES notation for (2R)-N-[[(2S,3S)-1-methyl-5-oxo-2-phenylpyrrolidin-3-yl]methyl]-2-(3-methyl-4-propan-2-ylphenoxy)propanamide?
The canonical SMILES for (2R)-N-[[(2S,3S)-1-methyl-5-oxo-2-phenylpyrrolidin-3-yl]methyl]-2-(3-methyl-4-propan-2-ylphenoxy)propanamide is Cc1cc(O[C@H](C)C(=O)NC[C@@H]2CC(=O)N(C)[C@@H]2c2ccccc2)ccc1C(C)C.
What is the InChIKey of (2R)-N-[[(2S,3S)-1-methyl-5-oxo-2-phenylpyrrolidin-3-yl]methyl]-2-(3-methyl-4-propan-2-ylphenoxy)propanamide?
The InChIKey is LXZRJNAZVUDPJM-LJFZDNNRSA-N. The full InChI is InChI=1S/C25H32N2O3/c1-16(2)22-12-11-21(13-17(22)3)30-18(4)25(29)26-15-20-14-23(28)27(5)24(20)19-9-7-6-8-10-19/h6-13,16,18,20,24H,14-15H2,1-5H3,(H,26,29)/t18-,20+,24-/m1/s1.
What are the key properties of (2R)-N-[[(2S,3S)-1-methyl-5-oxo-2-phenylpyrrolidin-3-yl]methyl]-2-(3-methyl-4-propan-2-ylphenoxy)propanamide?
(2R)-N-[[(2S,3S)-1-methyl-5-oxo-2-phenylpyrrolidin-3-yl]methyl]-2-(3-methyl-4-propan-2-ylphenoxy)propanamide has a molecular weight of 408.54 g/mol, XLogP of 4.22, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[[(2S,3S)-1-methyl-5-oxo-2-phenylpyrrolidin-3-yl]methyl]-2-(3-methyl-4-propan-2-ylphenoxy)propanamide is sourced from PubChem (CID 97261954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).