N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-1-propylpyrrole-2-carboxamide

C17H22N2O2 — CID 107863497

IUPACN-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-1-propylpyrrole-2-carboxamide
SMILESCCCn1cccc1C(=O)N[C@H](CO)Cc1ccccc1
InChIInChI=1S/C17H22N2O2/c1-2-10-19-11-6-9-16(19)17(21)18-15(13-20)12-14-7-4-3-5-8-14/h3-9,11,15,20H,2,10,12-13H2,1H3,(H,18,21)/t15-/m0/s1
InChIKeyLSXSUORLWISACJ-HNNXBMFYSA-N
MW286.38 g/mol
LogP2.23
Rot. Bonds7

About N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-1-propylpyrrole-2-carboxamide

N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-1-propylpyrrole-2-carboxamide (PubChem CID 107863497) has the molecular formula C17H22N2O2 and a molecular weight of 286.38 g/mol. Its IUPAC name is N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-1-propylpyrrole-2-carboxamide.

Molecular Properties

Compound NameN-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-1-propylpyrrole-2-carboxamide
PubChem CID107863497
Molecular FormulaC17H22N2O2
Molecular Weight286.38 g/mol
Exact Mass286.17
IUPAC NameN-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-1-propylpyrrole-2-carboxamide
SMILESCCCn1cccc1C(=O)N[C@H](CO)Cc1ccccc1
InChIInChI=1S/C17H22N2O2/c1-2-10-19-11-6-9-16(19)17(21)18-15(13-20)12-14-7-4-3-5-8-14/h3-9,11,15,20H,2,10,12-13H2,1H3,(H,18,21)/t15-/m0/s1
InChIKeyLSXSUORLWISACJ-HNNXBMFYSA-N
XLogP2.23
TPSA54.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-cyclopropyl-N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]pyrrole-2-carboxamide
CID 107861229
4-amino-N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-1-methylpyrrole-2-carboxamide
CID 107861847
N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]-2,5-dimethylpyrazole-3-carboxamide
CID 107861204
N-(2,3-dihydroxypropyl)-1-propylpyrrole-2-carboxamide
CID 66176682
1-N,3-N,5-N-tris[(2S)-1-hydroxy-3-phenylpropan-2-yl]benzene-1,3,5-tricarboxamide
CID 102400382
(2R)-4-methylsulfanyl-2-[(1-propylpyrrole-2-carbonyl)amino]butanoic acid
CID 104906339
1,3-bis(1-hydroxy-3-phenylpropan-2-yl)urea
CID 22088923
N-[(2R)-1-hydroxybutan-2-yl]-1-(2,2,2-trifluoroethyl)pyrrole-2-carboxamide
CID 104940018
1-ethyl-N-(1-hydroxy-4-methoxybutan-2-yl)pyrrole-2-carboxamide
CID 114211275
2-methyl-2-[(1-propylpyrrole-2-carbonyl)amino]butanoic acid
CID 79792812
2-amino-N-(1-hydroxy-3-phenylpropan-2-yl)-2-methylpentanamide
CID 63261623
2-chloro-N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]benzamide
CID 42364147

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-1-propylpyrrole-2-carboxamide?
The IUPAC name of N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-1-propylpyrrole-2-carboxamide (CID 107863497) is N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-1-propylpyrrole-2-carboxamide.
What is the SMILES notation for N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-1-propylpyrrole-2-carboxamide?
The canonical SMILES for N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-1-propylpyrrole-2-carboxamide is CCCn1cccc1C(=O)N[C@H](CO)Cc1ccccc1.
What is the InChIKey of N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-1-propylpyrrole-2-carboxamide?
The InChIKey is LSXSUORLWISACJ-HNNXBMFYSA-N. The full InChI is InChI=1S/C17H22N2O2/c1-2-10-19-11-6-9-16(19)17(21)18-15(13-20)12-14-7-4-3-5-8-14/h3-9,11,15,20H,2,10,12-13H2,1H3,(H,18,21)/t15-/m0/s1.
What are the key properties of N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-1-propylpyrrole-2-carboxamide?
N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-1-propylpyrrole-2-carboxamide has a molecular weight of 286.38 g/mol, XLogP of 2.23, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-1-propylpyrrole-2-carboxamide is sourced from PubChem (CID 107863497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).