N-[(1R,2R)-1-hydroxy-1-(4-phenylphenyl)-3-pyrrolidin-1-ylpropan-2-yl]butanamide

C23H30N2O2 — CID 122605683

IUPACN-[(1R,2R)-1-hydroxy-1-(4-phenylphenyl)-3-pyrrolidin-1-ylpropan-2-yl]butanamide
SMILESCCCC(=O)N[C@H](CN1CCCC1)[C@H](O)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C23H30N2O2/c1-2-8-22(26)24-21(17-25-15-6-7-16-25)23(27)20-13-11-19(12-14-20)18-9-4-3-5-10-18/h3-5,9-14,21,23,27H,2,6-8,15-17H2,1H3,(H,24,26)/t21-,23-/m1/s1
InChIKeyGNXNRKARINCIRC-FYYLOGMGSA-N
MW366.51 g/mol
LogP3.77
Rot. Bonds8

About N-[(1R,2R)-1-hydroxy-1-(4-phenylphenyl)-3-pyrrolidin-1-ylpropan-2-yl]butanamide

N-[(1R,2R)-1-hydroxy-1-(4-phenylphenyl)-3-pyrrolidin-1-ylpropan-2-yl]butanamide (PubChem CID 122605683) has the molecular formula C23H30N2O2 and a molecular weight of 366.51 g/mol. Its IUPAC name is N-[(1R,2R)-1-hydroxy-1-(4-phenylphenyl)-3-pyrrolidin-1-ylpropan-2-yl]butanamide.

Molecular Properties

Compound NameN-[(1R,2R)-1-hydroxy-1-(4-phenylphenyl)-3-pyrrolidin-1-ylpropan-2-yl]butanamide
PubChem CID122605683
Molecular FormulaC23H30N2O2
Molecular Weight366.51 g/mol
Exact Mass366.23
IUPAC NameN-[(1R,2R)-1-hydroxy-1-(4-phenylphenyl)-3-pyrrolidin-1-ylpropan-2-yl]butanamide
SMILESCCCC(=O)N[C@H](CN1CCCC1)[C@H](O)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C23H30N2O2/c1-2-8-22(26)24-21(17-25-15-6-7-16-25)23(27)20-13-11-19(12-14-20)18-9-4-3-5-10-18/h3-5,9-14,21,23,27H,2,6-8,15-17H2,1H3,(H,24,26)/t21-,23-/m1/s1
InChIKeyGNXNRKARINCIRC-FYYLOGMGSA-N
XLogP3.77
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.51
LogP ≤ 53.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1R,2R)-1-hydroxy-1-(4-phenylphenyl)-3-pyrrolidin-1-ylpropan-2-yl]octanamide
CID 59530793
N-[1-hydroxy-1-(4-hydroxyphenyl)-3-pyrrolidin-1-ylpropan-2-yl]butanamide
CID 137419418
N-[3-(4-formylpiperazin-1-yl)-1-hydroxy-1-phenylpropan-2-yl]decanamide
CID 54327044
N-[(1R)-1-hydroxy-3-morpholin-4-yl-1-phenylpropan-2-yl]decanamide;hydrochloride
CID 11957677
N-[(1S,2S)-1-hydroxy-3-morpholin-4-yl-1-phenylpropan-2-yl]hexadecanamide;hydrochloride
CID 133124946
octyl N-[(1R,2R)-1-hydroxy-1-phenyl-3-pyrrolidin-1-ylpropan-2-yl]carbamate
CID 54510038
1-[(1R,2R)-1-hydroxy-3-pyrrolidin-1-yl-1-(5,6,7,8-tetrahydronaphthalen-2-yl)propan-2-yl]-3-(4-phenylphenyl)urea
CID 71243178
[(1R,2R)-1-hydroxy-1-(4-methoxyphenyl)-3-pyrrolidin-1-ylpropan-2-yl]carbamic acid
CID 68513118
N-[(1R,2R)-1-hydroxy-1-[4-(3-phenoxypropoxy)phenyl]-3-pyrrolidin-1-ylpropan-2-yl]-6-(4-methoxyphenyl)-6-oxohexanamide
CID 59531004
N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-hydroxy-3-pyrrolidin-1-ylpropan-2-yl]-4-phenylbenzamide
CID 74389872
N-[(1S,2S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-hydroxy-3-pyrrolidin-1-ylpropan-2-yl]nonanamide
CID 59280122
4-(1,3-benzodioxol-4-yl)-N-(1-hydroxy-1-phenyl-3-pyrrolidin-1-ylpropan-2-yl)hexadecanamide
CID 91477676

Frequently Asked Questions

What is the IUPAC name of N-[(1R,2R)-1-hydroxy-1-(4-phenylphenyl)-3-pyrrolidin-1-ylpropan-2-yl]butanamide?
The IUPAC name of N-[(1R,2R)-1-hydroxy-1-(4-phenylphenyl)-3-pyrrolidin-1-ylpropan-2-yl]butanamide (CID 122605683) is N-[(1R,2R)-1-hydroxy-1-(4-phenylphenyl)-3-pyrrolidin-1-ylpropan-2-yl]butanamide.
What is the SMILES notation for N-[(1R,2R)-1-hydroxy-1-(4-phenylphenyl)-3-pyrrolidin-1-ylpropan-2-yl]butanamide?
The canonical SMILES for N-[(1R,2R)-1-hydroxy-1-(4-phenylphenyl)-3-pyrrolidin-1-ylpropan-2-yl]butanamide is CCCC(=O)N[C@H](CN1CCCC1)[C@H](O)c1ccc(-c2ccccc2)cc1.
What is the InChIKey of N-[(1R,2R)-1-hydroxy-1-(4-phenylphenyl)-3-pyrrolidin-1-ylpropan-2-yl]butanamide?
The InChIKey is GNXNRKARINCIRC-FYYLOGMGSA-N. The full InChI is InChI=1S/C23H30N2O2/c1-2-8-22(26)24-21(17-25-15-6-7-16-25)23(27)20-13-11-19(12-14-20)18-9-4-3-5-10-18/h3-5,9-14,21,23,27H,2,6-8,15-17H2,1H3,(H,24,26)/t21-,23-/m1/s1.
What are the key properties of N-[(1R,2R)-1-hydroxy-1-(4-phenylphenyl)-3-pyrrolidin-1-ylpropan-2-yl]butanamide?
N-[(1R,2R)-1-hydroxy-1-(4-phenylphenyl)-3-pyrrolidin-1-ylpropan-2-yl]butanamide has a molecular weight of 366.51 g/mol, XLogP of 3.77, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,2R)-1-hydroxy-1-(4-phenylphenyl)-3-pyrrolidin-1-ylpropan-2-yl]butanamide is sourced from PubChem (CID 122605683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).