N-[(1S)-2-(3-hydroxypyrrolidin-1-yl)-1-phenylethyl]-2,2-diphenylpropanamide

C27H30N2O2 — CID 57172065

IUPACN-[(1S)-2-(3-hydroxypyrrolidin-1-yl)-1-phenylethyl]-2,2-diphenylpropanamide
SMILESCC(C(=O)N[C@H](CN1CCC(O)C1)c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C27H30N2O2/c1-27(22-13-7-3-8-14-22,23-15-9-4-10-16-23)26(31)28-25(21-11-5-2-6-12-21)20-29-18-17-24(30)19-29/h2-16,24-25,30H,17-20H2,1H3,(H,28,31)/t24?,25-/m1/s1
InChIKeyURVLAMWMHSEMNN-WUBHUQEYSA-N
MW414.55 g/mol
LogP3.92
Rot. Bonds7

About N-[(1S)-2-(3-hydroxypyrrolidin-1-yl)-1-phenylethyl]-2,2-diphenylpropanamide

N-[(1S)-2-(3-hydroxypyrrolidin-1-yl)-1-phenylethyl]-2,2-diphenylpropanamide (PubChem CID 57172065) has the molecular formula C27H30N2O2 and a molecular weight of 414.55 g/mol. Its IUPAC name is N-[(1S)-2-(3-hydroxypyrrolidin-1-yl)-1-phenylethyl]-2,2-diphenylpropanamide.

Molecular Properties

Compound NameN-[(1S)-2-(3-hydroxypyrrolidin-1-yl)-1-phenylethyl]-2,2-diphenylpropanamide
PubChem CID57172065
Molecular FormulaC27H30N2O2
Molecular Weight414.55 g/mol
Exact Mass414.23
IUPAC NameN-[(1S)-2-(3-hydroxypyrrolidin-1-yl)-1-phenylethyl]-2,2-diphenylpropanamide
SMILESCC(C(=O)N[C@H](CN1CCC(O)C1)c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C27H30N2O2/c1-27(22-13-7-3-8-14-22,23-15-9-4-10-16-23)26(31)28-25(21-11-5-2-6-12-21)20-29-18-17-24(30)19-29/h2-16,24-25,30H,17-20H2,1H3,(H,28,31)/t24?,25-/m1/s1
InChIKeyURVLAMWMHSEMNN-WUBHUQEYSA-N
XLogP3.92
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.55
LogP ≤ 53.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

Asimadoline
CID 179340
N-[(S)-2-((S)-3-Hydroxy-pyrrolidin-1-yl)-1-phenyl-ethyl]-2-[4-(methanesulfonylamino-methyl)-phenyl]-N-methyl-acetamide
CID 11201660
Asimadoline hydrochloride
CID 9846614
2,2-dimethylpropyl-[(2~{R},3~{S})-3-(2,2-diphenylethanoylamino)-2-oxidanyl-4-phenyl-butyl]azanium
CID 155920141
(3S,6S,10aS)-N-(diphenylmethyl)-6-[(2S)-2-hydroxypropanamido]-5-oxo-decahydropyrrolo[1,2-a]azocine-3-carboxamide
CID 25138068
N1-benzyl-N3-((S)-2-((S)-3-hydroxypyrrolidin-1-yl)-1-phenylethyl)-N3-methylmalonamide
CID 11749794
N-[(1S)-2-[(3S)-3-hydroxypyrrolidin-1-yl]-1-phenylethyl]-2-[4-[2-(methanesulfonamido)ethyl]phenyl]-N-methylacetamide
CID 23594230
N-[(1S)-2-[(3S)-3-hydroxypyrrolidin-1-yl]-1-phenylethyl]-2-[4-[3-(methanesulfonamido)propyl]phenyl]-N-methylacetamide
CID 23594232
(2S)-N-(diphenylmethyl)-1-[(2S)-2-[[(2S)-2-(methylamino)propanoyl]amino]-2-phenyl-ethanoyl]pyrrolidine-2-carboxamide;methanoic acid
CID 44182234
1-[2-(3-Hydroxy-pyrrolidin-1-yl)-1-phenyl-ethyl]-3-phenyl-1H-pyridin-2-one
CID 44269872
(4R)-N-[(2R)-1-[benzyl(methyl)amino]-1-oxo-3-phenylpropan-2-yl]-4-hydroxy-1-(2-phenylacetyl)pyrrolidine-2-carboxamide
CID 44306341
(4R)-N-[(2R)-1-[benzyl(methyl)amino]-1-oxo-3-phenylpropan-2-yl]-4-hydroxy-1-(3-phenylpropanoyl)pyrrolidine-2-carboxamide
CID 44306354

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-2-(3-hydroxypyrrolidin-1-yl)-1-phenylethyl]-2,2-diphenylpropanamide?
The IUPAC name of N-[(1S)-2-(3-hydroxypyrrolidin-1-yl)-1-phenylethyl]-2,2-diphenylpropanamide (CID 57172065) is N-[(1S)-2-(3-hydroxypyrrolidin-1-yl)-1-phenylethyl]-2,2-diphenylpropanamide.
What is the SMILES notation for N-[(1S)-2-(3-hydroxypyrrolidin-1-yl)-1-phenylethyl]-2,2-diphenylpropanamide?
The canonical SMILES for N-[(1S)-2-(3-hydroxypyrrolidin-1-yl)-1-phenylethyl]-2,2-diphenylpropanamide is CC(C(=O)N[C@H](CN1CCC(O)C1)c1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of N-[(1S)-2-(3-hydroxypyrrolidin-1-yl)-1-phenylethyl]-2,2-diphenylpropanamide?
The InChIKey is URVLAMWMHSEMNN-WUBHUQEYSA-N. The full InChI is InChI=1S/C27H30N2O2/c1-27(22-13-7-3-8-14-22,23-15-9-4-10-16-23)26(31)28-25(21-11-5-2-6-12-21)20-29-18-17-24(30)19-29/h2-16,24-25,30H,17-20H2,1H3,(H,28,31)/t24?,25-/m1/s1.
What are the key properties of N-[(1S)-2-(3-hydroxypyrrolidin-1-yl)-1-phenylethyl]-2,2-diphenylpropanamide?
N-[(1S)-2-(3-hydroxypyrrolidin-1-yl)-1-phenylethyl]-2,2-diphenylpropanamide has a molecular weight of 414.55 g/mol, XLogP of 3.92, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-2-(3-hydroxypyrrolidin-1-yl)-1-phenylethyl]-2,2-diphenylpropanamide is sourced from PubChem (CID 57172065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).