1-benzyl-N-[(2R)-2-hydroxy-2-methyl-3-morpholin-4-ylpropyl]pyrrole-2-carboxamide

C20H27N3O3 — CID 95971967

IUPAC1-benzyl-N-[(2R)-2-hydroxy-2-methyl-3-morpholin-4-ylpropyl]pyrrole-2-carboxamide
SMILESC[C@@](O)(CNC(=O)c1cccn1Cc1ccccc1)CN1CCOCC1
InChIInChI=1S/C20H27N3O3/c1-20(25,16-22-10-12-26-13-11-22)15-21-19(24)18-8-5-9-23(18)14-17-6-3-2-4-7-17/h2-9,25H,10-16H2,1H3,(H,21,24)/t20-/m1/s1
InChIKeyJZFNIKCUURDBAB-HXUWFJFHSA-N
MW357.45 g/mol
LogP1.35
Rot. Bonds7

About 1-benzyl-N-[(2R)-2-hydroxy-2-methyl-3-morpholin-4-ylpropyl]pyrrole-2-carboxamide

1-benzyl-N-[(2R)-2-hydroxy-2-methyl-3-morpholin-4-ylpropyl]pyrrole-2-carboxamide (PubChem CID 95971967) has the molecular formula C20H27N3O3 and a molecular weight of 357.45 g/mol. Its IUPAC name is 1-benzyl-N-[(2R)-2-hydroxy-2-methyl-3-morpholin-4-ylpropyl]pyrrole-2-carboxamide.

Molecular Properties

Compound Name1-benzyl-N-[(2R)-2-hydroxy-2-methyl-3-morpholin-4-ylpropyl]pyrrole-2-carboxamide
PubChem CID95971967
Molecular FormulaC20H27N3O3
Molecular Weight357.45 g/mol
Exact Mass357.21
IUPAC Name1-benzyl-N-[(2R)-2-hydroxy-2-methyl-3-morpholin-4-ylpropyl]pyrrole-2-carboxamide
SMILESC[C@@](O)(CNC(=O)c1cccn1Cc1ccccc1)CN1CCOCC1
InChIInChI=1S/C20H27N3O3/c1-20(25,16-22-10-12-26-13-11-22)15-21-19(24)18-8-5-9-23(18)14-17-6-3-2-4-7-17/h2-9,25H,10-16H2,1H3,(H,21,24)/t20-/m1/s1
InChIKeyJZFNIKCUURDBAB-HXUWFJFHSA-N
XLogP1.35
TPSA66.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.45
LogP ≤ 51.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-hydroxy-2-methyl-3-morpholin-4-ylpropyl)-3-phenylfuran-2-carboxamide
CID 111698273
N-(2-hydroxy-2-methyl-3-morpholin-4-ylpropyl)naphthalene-2-carboxamide
CID 111519900
1-benzyl-N-(3-ethyl-2-morpholin-4-ylpentyl)pyrrole-2-carboxamide
CID 55585125
N-(2-hydroxy-2-methyl-3-morpholin-4-ylpropyl)-1-phenylcyclopropane-1-carboxamide
CID 111520008
N-(3-amino-2,2-difluoropropyl)-1-benzylpyrrole-2-carboxamide
CID 114383386
1-benzyl-N-[(2S)-2-hydroxypropyl]pyrrole-2-carboxamide
CID 83029854
N-(2-hydroxy-2-methyl-3-morpholin-4-ylpropyl)-2,3-dimethyl-1H-indole-7-carboxamide
CID 111698262
7-fluoro-N-(2-hydroxy-2-methyl-3-morpholin-4-ylpropyl)-1-benzofuran-2-carboxamide
CID 111698284
1-benzyl-N-[2-(cyclopropylamino)ethyl]pyrrole-2-carboxamide
CID 62665454
N-(2-hydroxy-2-methyl-3-morpholin-4-ylpropyl)-2-(4-methyl-1H-indol-3-yl)acetamide
CID 111519938
1-benzyl-N-[2-[(2R)-oxolan-2-yl]ethyl]pyrrole-2-carboxamide
CID 95934905
2-[(1-benzylpyrazol-4-yl)methyl]-1-ethyl-3-(2-hydroxy-2-methyl-3-morpholin-4-ylpropyl)guanidine
CID 111658636

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-N-[(2R)-2-hydroxy-2-methyl-3-morpholin-4-ylpropyl]pyrrole-2-carboxamide?
The IUPAC name of 1-benzyl-N-[(2R)-2-hydroxy-2-methyl-3-morpholin-4-ylpropyl]pyrrole-2-carboxamide (CID 95971967) is 1-benzyl-N-[(2R)-2-hydroxy-2-methyl-3-morpholin-4-ylpropyl]pyrrole-2-carboxamide.
What is the SMILES notation for 1-benzyl-N-[(2R)-2-hydroxy-2-methyl-3-morpholin-4-ylpropyl]pyrrole-2-carboxamide?
The canonical SMILES for 1-benzyl-N-[(2R)-2-hydroxy-2-methyl-3-morpholin-4-ylpropyl]pyrrole-2-carboxamide is C[C@@](O)(CNC(=O)c1cccn1Cc1ccccc1)CN1CCOCC1.
What is the InChIKey of 1-benzyl-N-[(2R)-2-hydroxy-2-methyl-3-morpholin-4-ylpropyl]pyrrole-2-carboxamide?
The InChIKey is JZFNIKCUURDBAB-HXUWFJFHSA-N. The full InChI is InChI=1S/C20H27N3O3/c1-20(25,16-22-10-12-26-13-11-22)15-21-19(24)18-8-5-9-23(18)14-17-6-3-2-4-7-17/h2-9,25H,10-16H2,1H3,(H,21,24)/t20-/m1/s1.
What are the key properties of 1-benzyl-N-[(2R)-2-hydroxy-2-methyl-3-morpholin-4-ylpropyl]pyrrole-2-carboxamide?
1-benzyl-N-[(2R)-2-hydroxy-2-methyl-3-morpholin-4-ylpropyl]pyrrole-2-carboxamide has a molecular weight of 357.45 g/mol, XLogP of 1.35, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-N-[(2R)-2-hydroxy-2-methyl-3-morpholin-4-ylpropyl]pyrrole-2-carboxamide is sourced from PubChem (CID 95971967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).