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

C27H31ClN2O2 — CID 68537889

IUPACN-[(1S)-2-[(3S)-3-hydroxypyrrolidin-1-yl]-1-phenylethyl]-2,2-diphenylpropanamide;hydrochloride
SMILESCC(C(=O)N[C@H](CN1CC[C@H](O)C1)c1ccccc1)(c1ccccc1)c1ccccc1.Cl
InChIInChI=1S/C27H30N2O2.ClH/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);1H/t24-,25+;/m0./s1
InChIKeyRFNFEXSMUNMZHW-CLSOAGJSSA-N
MW451.01 g/mol
LogP4.34
Rot. Bonds7

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

N-[(1S)-2-[(3S)-3-hydroxypyrrolidin-1-yl]-1-phenylethyl]-2,2-diphenylpropanamide;hydrochloride (PubChem CID 68537889) has the molecular formula C27H31ClN2O2 and a molecular weight of 451.01 g/mol. Its IUPAC name is N-[(1S)-2-[(3S)-3-hydroxypyrrolidin-1-yl]-1-phenylethyl]-2,2-diphenylpropanamide;hydrochloride.

Molecular Properties

Compound NameN-[(1S)-2-[(3S)-3-hydroxypyrrolidin-1-yl]-1-phenylethyl]-2,2-diphenylpropanamide;hydrochloride
PubChem CID68537889
Molecular FormulaC27H31ClN2O2
Molecular Weight451.01 g/mol
Exact Mass450.21
IUPAC NameN-[(1S)-2-[(3S)-3-hydroxypyrrolidin-1-yl]-1-phenylethyl]-2,2-diphenylpropanamide;hydrochloride
SMILESCC(C(=O)N[C@H](CN1CC[C@H](O)C1)c1ccccc1)(c1ccccc1)c1ccccc1.Cl
InChIInChI=1S/C27H30N2O2.ClH/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);1H/t24-,25+;/m0./s1
InChIKeyRFNFEXSMUNMZHW-CLSOAGJSSA-N
XLogP4.34
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.01
LogP ≤ 54.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(3S)-1-[(2S)-2-(methylamino)-2-phenylethyl]pyrrolidin-3-ol;dihydrochloride
CID 23594216
2,2-bis(4-fluorophenyl)-N-[(1S)-1-(4-fluorophenyl)-2-(3-hydroxypyrrolidin-1-yl)ethyl]butanamide
CID 57016241
(3S)-1-[2-(2,2-dimethoxyethylamino)-2-phenylethyl]pyrrolidin-3-ol
CID 70341809
1-(2-amino-2-phenylethyl)pyrrolidin-3-ol
CID 18939029
2,2-bis(4-chlorophenyl)-N-[(1S)-1-(4-hydroxyphenyl)-2-(3-hydroxypyrrolidin-1-yl)ethyl]butanamide
CID 57060034
N-[(1S)-2-[(3R)-3-hydroxypyrrolidin-1-yl]-1-phenylethyl]-2-(3-methyl-2-oxo-1,3-benzoxazol-5-yl)acetamide;sulfane
CID 159525271
N-[(1S)-1-(4-fluorophenyl)-2-(3-hydroxypyrrolidin-1-yl)ethyl]-9-methylxanthene-9-carboxamide
CID 57290515
(3S)-1-[(2S)-2-(methylamino)-2-[4-(trifluoromethyl)phenyl]ethyl]pyrrolidin-3-ol
CID 67673345
N-[(1S)-2-[(3S)-3-hydroxypyrrolidin-1-yl]-1-phenylethyl]-1,2,3,4-tetrahydroquinoline-2-carboxamide;methane;methyl 1,2,3,4-tetrahydroquinoline-2-carboxylate;1,2,3,4-tetrahydroquinoline-2-carboxylic acid
CID 162260687
2-(2-hydroxyphenyl)-2-methyl-N-[(1S)-1-phenyl-2-pyrrolidin-1-ylethyl]propanamide
CID 57193315
N-[(1S)-1-(2,4-dimethoxyphenyl)-2-[(3S)-3-hydroxypyrrolidin-1-yl]ethyl]-N-methyl-2,2-diphenylpropanamide
CID 67673124
N-[2-(3-hydroxypyrrolidin-1-yl)-1-phenylethyl]-N-methyl-2-[4-(trifluoromethyl)anilino]acetamide
CID 21074150

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-2-[(3S)-3-hydroxypyrrolidin-1-yl]-1-phenylethyl]-2,2-diphenylpropanamide;hydrochloride?
The IUPAC name of N-[(1S)-2-[(3S)-3-hydroxypyrrolidin-1-yl]-1-phenylethyl]-2,2-diphenylpropanamide;hydrochloride (CID 68537889) is N-[(1S)-2-[(3S)-3-hydroxypyrrolidin-1-yl]-1-phenylethyl]-2,2-diphenylpropanamide;hydrochloride.
What is the SMILES notation for N-[(1S)-2-[(3S)-3-hydroxypyrrolidin-1-yl]-1-phenylethyl]-2,2-diphenylpropanamide;hydrochloride?
The canonical SMILES for N-[(1S)-2-[(3S)-3-hydroxypyrrolidin-1-yl]-1-phenylethyl]-2,2-diphenylpropanamide;hydrochloride is CC(C(=O)N[C@H](CN1CC[C@H](O)C1)c1ccccc1)(c1ccccc1)c1ccccc1.Cl.
What is the InChIKey of N-[(1S)-2-[(3S)-3-hydroxypyrrolidin-1-yl]-1-phenylethyl]-2,2-diphenylpropanamide;hydrochloride?
The InChIKey is RFNFEXSMUNMZHW-CLSOAGJSSA-N. The full InChI is InChI=1S/C27H30N2O2.ClH/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);1H/t24-,25+;/m0./s1.
What are the key properties of N-[(1S)-2-[(3S)-3-hydroxypyrrolidin-1-yl]-1-phenylethyl]-2,2-diphenylpropanamide;hydrochloride?
N-[(1S)-2-[(3S)-3-hydroxypyrrolidin-1-yl]-1-phenylethyl]-2,2-diphenylpropanamide;hydrochloride has a molecular weight of 451.01 g/mol, XLogP of 4.34, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-2-[(3S)-3-hydroxypyrrolidin-1-yl]-1-phenylethyl]-2,2-diphenylpropanamide;hydrochloride is sourced from PubChem (CID 68537889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).