N-(2-morpholin-4-ylethyl)-1-(2-phenylacetyl)pyrrolidine-2-carboxamide

C19H27N3O3 — CID 47717787

IUPACN-(2-morpholin-4-ylethyl)-1-(2-phenylacetyl)pyrrolidine-2-carboxamide
SMILESO=C(NCCN1CCOCC1)C1CCCN1C(=O)Cc1ccccc1
InChIInChI=1S/C19H27N3O3/c23-18(15-16-5-2-1-3-6-16)22-9-4-7-17(22)19(24)20-8-10-21-11-13-25-14-12-21/h1-3,5-6,17H,4,7-15H2,(H,20,24)
InChIKeyFYBOMJBVHDBDJM-UHFFFAOYSA-N
MW345.44 g/mol
LogP0.67
Rot. Bonds6

About N-(2-morpholin-4-ylethyl)-1-(2-phenylacetyl)pyrrolidine-2-carboxamide

N-(2-morpholin-4-ylethyl)-1-(2-phenylacetyl)pyrrolidine-2-carboxamide (PubChem CID 47717787) has the molecular formula C19H27N3O3 and a molecular weight of 345.44 g/mol. Its IUPAC name is N-(2-morpholin-4-ylethyl)-1-(2-phenylacetyl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-(2-morpholin-4-ylethyl)-1-(2-phenylacetyl)pyrrolidine-2-carboxamide
PubChem CID47717787
Molecular FormulaC19H27N3O3
Molecular Weight345.44 g/mol
Exact Mass345.21
IUPAC NameN-(2-morpholin-4-ylethyl)-1-(2-phenylacetyl)pyrrolidine-2-carboxamide
SMILESO=C(NCCN1CCOCC1)C1CCCN1C(=O)Cc1ccccc1
InChIInChI=1S/C19H27N3O3/c23-18(15-16-5-2-1-3-6-16)22-9-4-7-17(22)19(24)20-8-10-21-11-13-25-14-12-21/h1-3,5-6,17H,4,7-15H2,(H,20,24)
InChIKeyFYBOMJBVHDBDJM-UHFFFAOYSA-N
XLogP0.67
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.44
LogP ≤ 50.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-phenylacetyl)-N-(2-thiophen-2-ylethyl)pyrrolidine-2-carboxamide
CID 47719268
ethyl 3-[[(2S)-1-(2-phenylacetyl)pyrrolidine-2-carbonyl]amino]propanoate
CID 10496803
N-cyclopropyl-1-(2-phenylacetyl)pyrrolidine-2-carboxamide
CID 47164597
4-[[[1-(2-phenylacetyl)pyrrolidine-2-carbonyl]amino]methyl]benzoic acid
CID 119353518
N-(2-morpholin-4-ylethyl)-1-(thiophene-2-carbonyl)piperidine-2-carboxamide
CID 78844704
(2R)-N-[[(2S)-2-methyloxolan-2-yl]methyl]-1-(2-phenylacetyl)pyrrolidine-2-carboxamide
CID 96537614
1-(2-phenylacetyl)-N-(2-piperidin-3-ylethyl)pyrrolidine-2-carboxamide;hydrochloride
CID 119557113
N-[(3,4-dihydroxyphenyl)methyl]-1-(2-phenylacetyl)pyrrolidine-2-carboxamide
CID 136521380
(2R)-N-cycloheptyl-1-(2-phenylacetyl)pyrrolidine-2-carboxamide
CID 95190248
N-[2-[[1-(2-phenylacetyl)pyrrolidine-2-carbonyl]amino]ethyl]pyridine-3-carboxamide
CID 60584974
(2S)-N-benzyl-1-(morpholine-4-carbonyl)pyrrolidine-2-carboxamide
CID 110286160
(2S)-N-(2-hydroxyphenyl)-1-(2-phenylacetyl)pyrrolidine-2-carboxamide
CID 95216209

Frequently Asked Questions

What is the IUPAC name of N-(2-morpholin-4-ylethyl)-1-(2-phenylacetyl)pyrrolidine-2-carboxamide?
The IUPAC name of N-(2-morpholin-4-ylethyl)-1-(2-phenylacetyl)pyrrolidine-2-carboxamide (CID 47717787) is N-(2-morpholin-4-ylethyl)-1-(2-phenylacetyl)pyrrolidine-2-carboxamide.
What is the SMILES notation for N-(2-morpholin-4-ylethyl)-1-(2-phenylacetyl)pyrrolidine-2-carboxamide?
The canonical SMILES for N-(2-morpholin-4-ylethyl)-1-(2-phenylacetyl)pyrrolidine-2-carboxamide is O=C(NCCN1CCOCC1)C1CCCN1C(=O)Cc1ccccc1.
What is the InChIKey of N-(2-morpholin-4-ylethyl)-1-(2-phenylacetyl)pyrrolidine-2-carboxamide?
The InChIKey is FYBOMJBVHDBDJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3O3/c23-18(15-16-5-2-1-3-6-16)22-9-4-7-17(22)19(24)20-8-10-21-11-13-25-14-12-21/h1-3,5-6,17H,4,7-15H2,(H,20,24).
What are the key properties of N-(2-morpholin-4-ylethyl)-1-(2-phenylacetyl)pyrrolidine-2-carboxamide?
N-(2-morpholin-4-ylethyl)-1-(2-phenylacetyl)pyrrolidine-2-carboxamide has a molecular weight of 345.44 g/mol, XLogP of 0.67, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-morpholin-4-ylethyl)-1-(2-phenylacetyl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 47717787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).