N-[2-oxo-2-[[(3R)-1-(2-phenoxyacetyl)pyrrolidin-3-yl]amino]ethyl]cyclopentanecarboxamide

C20H27N3O4 — CID 100747142

IUPACN-[2-oxo-2-[[(3R)-1-(2-phenoxyacetyl)pyrrolidin-3-yl]amino]ethyl]cyclopentanecarboxamide
SMILESO=C(CNC(=O)C1CCCC1)N[C@@H]1CCN(C(=O)COc2ccccc2)C1
InChIInChI=1S/C20H27N3O4/c24-18(12-21-20(26)15-6-4-5-7-15)22-16-10-11-23(13-16)19(25)14-27-17-8-2-1-3-9-17/h1-3,8-9,15-16H,4-7,10-14H2,(H,21,26)(H,22,24)/t16-/m1/s1
InChIKeyLNFSMPBQFCPGTM-MRXNPFEDSA-N
MW373.45 g/mol
LogP1.09
Rot. Bonds7

About N-[2-oxo-2-[[(3R)-1-(2-phenoxyacetyl)pyrrolidin-3-yl]amino]ethyl]cyclopentanecarboxamide

N-[2-oxo-2-[[(3R)-1-(2-phenoxyacetyl)pyrrolidin-3-yl]amino]ethyl]cyclopentanecarboxamide (PubChem CID 100747142) has the molecular formula C20H27N3O4 and a molecular weight of 373.45 g/mol. Its IUPAC name is N-[2-oxo-2-[[(3R)-1-(2-phenoxyacetyl)pyrrolidin-3-yl]amino]ethyl]cyclopentanecarboxamide.

Molecular Properties

Compound NameN-[2-oxo-2-[[(3R)-1-(2-phenoxyacetyl)pyrrolidin-3-yl]amino]ethyl]cyclopentanecarboxamide
PubChem CID100747142
Molecular FormulaC20H27N3O4
Molecular Weight373.45 g/mol
Exact Mass373.20
IUPAC NameN-[2-oxo-2-[[(3R)-1-(2-phenoxyacetyl)pyrrolidin-3-yl]amino]ethyl]cyclopentanecarboxamide
SMILESO=C(CNC(=O)C1CCCC1)N[C@@H]1CCN(C(=O)COc2ccccc2)C1
InChIInChI=1S/C20H27N3O4/c24-18(12-21-20(26)15-6-4-5-7-15)22-16-10-11-23(13-16)19(25)14-27-17-8-2-1-3-9-17/h1-3,8-9,15-16H,4-7,10-14H2,(H,21,26)(H,22,24)/t16-/m1/s1
InChIKeyLNFSMPBQFCPGTM-MRXNPFEDSA-N
XLogP1.09
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.45
LogP ≤ 51.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(3S)-N-[2-(cyclopropylamino)-2-oxoethyl]-1-(3-phenoxypropanoyl)piperidine-3-carboxamide
CID 52504687
N-[(3S)-1-(2-phenoxyacetyl)pyrrolidin-3-yl]thiomorpholine-4-carboxamide
CID 124846611
(2S)-2-(hydroxymethyl)-N-[(3S)-1-(2-phenoxyacetyl)pyrrolidin-3-yl]pyrrolidine-1-carboxamide
CID 124743744
cis-(1R,3S)-3-[[1-(2-phenoxyacetyl)piperidine-3-carbonyl]amino]cyclopentane-1-carboxylic acid
CID 120677745
N-cyclooctyl-2-[(2-phenoxyacetyl)amino]acetamide
CID 24635122
tert-butyl (3R)-3-[(2-phenoxyacetyl)amino]pyrrolidine-1-carboxylate
CID 96510561
N-[2-(4-aminophenyl)ethyl]-1-(2-phenoxyacetyl)piperidine-3-carboxamide;hydrochloride
CID 119547681
N-(2-amino-2-methylpropyl)-1-(2-phenoxyacetyl)piperidine-3-carboxamide;hydrochloride
CID 119626264
2-(4-ethoxyphenoxy)-N-[1-(2-phenoxyacetyl)piperidin-4-yl]acetamide
CID 108556308
(2S,3R)-3-methyl-N-[(3S)-1-(2-phenoxyacetyl)pyrrolidin-3-yl]-2,3-dihydro-1-benzofuran-2-carboxamide
CID 124861312
N'-(2-phenoxyacetyl)cyclohexanecarbohydrazide
CID 695727
1-(2-phenoxyacetyl)-N-(pyrrolidin-2-ylmethyl)piperidine-3-carboxamide
CID 119510299

Frequently Asked Questions

What is the IUPAC name of N-[2-oxo-2-[[(3R)-1-(2-phenoxyacetyl)pyrrolidin-3-yl]amino]ethyl]cyclopentanecarboxamide?
The IUPAC name of N-[2-oxo-2-[[(3R)-1-(2-phenoxyacetyl)pyrrolidin-3-yl]amino]ethyl]cyclopentanecarboxamide (CID 100747142) is N-[2-oxo-2-[[(3R)-1-(2-phenoxyacetyl)pyrrolidin-3-yl]amino]ethyl]cyclopentanecarboxamide.
What is the SMILES notation for N-[2-oxo-2-[[(3R)-1-(2-phenoxyacetyl)pyrrolidin-3-yl]amino]ethyl]cyclopentanecarboxamide?
The canonical SMILES for N-[2-oxo-2-[[(3R)-1-(2-phenoxyacetyl)pyrrolidin-3-yl]amino]ethyl]cyclopentanecarboxamide is O=C(CNC(=O)C1CCCC1)N[C@@H]1CCN(C(=O)COc2ccccc2)C1.
What is the InChIKey of N-[2-oxo-2-[[(3R)-1-(2-phenoxyacetyl)pyrrolidin-3-yl]amino]ethyl]cyclopentanecarboxamide?
The InChIKey is LNFSMPBQFCPGTM-MRXNPFEDSA-N. The full InChI is InChI=1S/C20H27N3O4/c24-18(12-21-20(26)15-6-4-5-7-15)22-16-10-11-23(13-16)19(25)14-27-17-8-2-1-3-9-17/h1-3,8-9,15-16H,4-7,10-14H2,(H,21,26)(H,22,24)/t16-/m1/s1.
What are the key properties of N-[2-oxo-2-[[(3R)-1-(2-phenoxyacetyl)pyrrolidin-3-yl]amino]ethyl]cyclopentanecarboxamide?
N-[2-oxo-2-[[(3R)-1-(2-phenoxyacetyl)pyrrolidin-3-yl]amino]ethyl]cyclopentanecarboxamide has a molecular weight of 373.45 g/mol, XLogP of 1.09, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-oxo-2-[[(3R)-1-(2-phenoxyacetyl)pyrrolidin-3-yl]amino]ethyl]cyclopentanecarboxamide is sourced from PubChem (CID 100747142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).