(2S)-6-[(2S)-2-cyclopentyl-2-phenylacetyl]-N-(furan-2-ylmethyl)-6-azaspiro[2.5]octane-2-carboxamide

C26H32N2O3 — CID 42539996

IUPAC(2S)-6-[(2S)-2-cyclopentyl-2-phenylacetyl]-N-(furan-2-ylmethyl)-6-azaspiro[2.5]octane-2-carboxamide
SMILESO=C(NCc1ccco1)[C@H]1CC12CCN(C(=O)[C@H](c1ccccc1)C1CCCC1)CC2
InChIInChI=1S/C26H32N2O3/c29-24(27-18-21-11-6-16-31-21)22-17-26(22)12-14-28(15-13-26)25(30)23(20-9-4-5-10-20)19-7-2-1-3-8-19/h1-3,6-8,11,16,20,22-23H,4-5,9-10,12-15,17-18H2,(H,27,29)/t22-,23-/m1/s1
InChIKeyZCJPDDSRFHJXHW-DHIUTWEWSA-N
MW420.55 g/mol
LogP4.50
Rot. Bonds6

About (2S)-6-[(2S)-2-cyclopentyl-2-phenylacetyl]-N-(furan-2-ylmethyl)-6-azaspiro[2.5]octane-2-carboxamide

(2S)-6-[(2S)-2-cyclopentyl-2-phenylacetyl]-N-(furan-2-ylmethyl)-6-azaspiro[2.5]octane-2-carboxamide (PubChem CID 42539996) has the molecular formula C26H32N2O3 and a molecular weight of 420.55 g/mol. Its IUPAC name is (2S)-6-[(2S)-2-cyclopentyl-2-phenylacetyl]-N-(furan-2-ylmethyl)-6-azaspiro[2.5]octane-2-carboxamide.

Molecular Properties

Compound Name(2S)-6-[(2S)-2-cyclopentyl-2-phenylacetyl]-N-(furan-2-ylmethyl)-6-azaspiro[2.5]octane-2-carboxamide
PubChem CID42539996
Molecular FormulaC26H32N2O3
Molecular Weight420.55 g/mol
Exact Mass420.24
IUPAC Name(2S)-6-[(2S)-2-cyclopentyl-2-phenylacetyl]-N-(furan-2-ylmethyl)-6-azaspiro[2.5]octane-2-carboxamide
SMILESO=C(NCc1ccco1)[C@H]1CC12CCN(C(=O)[C@H](c1ccccc1)C1CCCC1)CC2
InChIInChI=1S/C26H32N2O3/c29-24(27-18-21-11-6-16-31-21)22-17-26(22)12-14-28(15-13-26)25(30)23(20-9-4-5-10-20)19-7-2-1-3-8-19/h1-3,6-8,11,16,20,22-23H,4-5,9-10,12-15,17-18H2,(H,27,29)/t22-,23-/m1/s1
InChIKeyZCJPDDSRFHJXHW-DHIUTWEWSA-N
XLogP4.50
TPSA62.55 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.55
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(furan-2-ylmethyl)-5-(pyrrolidine-1-carbonyl)-5-azaspiro[2.4]heptane-2-carboxamide
CID 134072540
(2S,3R)-N-(furan-2-ylmethyl)-5-propylsulfonyl-5-azaspiro[2.4]heptane-2-carboxamide
CID 97396681
(2S,3R)-5-N-(3-fluorophenyl)-2-N-(furan-2-ylmethyl)-5-azaspiro[2.4]heptane-2,5-dicarboxamide
CID 97492854
(2R,3S)-5-N-(3-fluorophenyl)-2-N-(furan-2-ylmethyl)-5-azaspiro[2.4]heptane-2,5-dicarboxamide
CID 97492855
2-(4-cyano-4-phenylpiperidine-1-carbonyl)-N-(furan-2-ylmethyl)cyclohexane-1-carboxamide
CID 44760415
2-amino-N-(furan-2-ylmethyl)cyclohexane-1-carboxamide
CID 64816984
4-N-[cyclopropyl(phenyl)methyl]-1-N-(furan-2-ylmethyl)piperidine-1,4-dicarboxamide
CID 47028581
2-cyclopentyl-N-(furan-2-ylmethyl)-2-[4-(2-phenylacetyl)piperazin-1-yl]acetamide
CID 42842454
N-(3,3-diphenylpropyl)-6-[3-(furan-2-yl)prop-2-enyl]-6-azaspiro[2.5]octane-2-carboxamide
CID 75102703
N-(3,3-diphenylpropyl)-6-[(E)-3-(furan-2-yl)prop-2-enyl]-6-azaspiro[2.5]octane-2-carboxamide
CID 45253008
N-benzyl-6-(cyclohex-3-ene-1-carbonyl)-6-azaspiro[2.5]octane-2-carboxamide
CID 126465913
(2R,3R,6S)-6-(furan-2-ylmethylcarbamoyl)-1,1,2-trimethylspiro[2.3]hexane-2-carboxylic acid
CID 11871437

Frequently Asked Questions

What is the IUPAC name of (2S)-6-[(2S)-2-cyclopentyl-2-phenylacetyl]-N-(furan-2-ylmethyl)-6-azaspiro[2.5]octane-2-carboxamide?
The IUPAC name of (2S)-6-[(2S)-2-cyclopentyl-2-phenylacetyl]-N-(furan-2-ylmethyl)-6-azaspiro[2.5]octane-2-carboxamide (CID 42539996) is (2S)-6-[(2S)-2-cyclopentyl-2-phenylacetyl]-N-(furan-2-ylmethyl)-6-azaspiro[2.5]octane-2-carboxamide.
What is the SMILES notation for (2S)-6-[(2S)-2-cyclopentyl-2-phenylacetyl]-N-(furan-2-ylmethyl)-6-azaspiro[2.5]octane-2-carboxamide?
The canonical SMILES for (2S)-6-[(2S)-2-cyclopentyl-2-phenylacetyl]-N-(furan-2-ylmethyl)-6-azaspiro[2.5]octane-2-carboxamide is O=C(NCc1ccco1)[C@H]1CC12CCN(C(=O)[C@H](c1ccccc1)C1CCCC1)CC2.
What is the InChIKey of (2S)-6-[(2S)-2-cyclopentyl-2-phenylacetyl]-N-(furan-2-ylmethyl)-6-azaspiro[2.5]octane-2-carboxamide?
The InChIKey is ZCJPDDSRFHJXHW-DHIUTWEWSA-N. The full InChI is InChI=1S/C26H32N2O3/c29-24(27-18-21-11-6-16-31-21)22-17-26(22)12-14-28(15-13-26)25(30)23(20-9-4-5-10-20)19-7-2-1-3-8-19/h1-3,6-8,11,16,20,22-23H,4-5,9-10,12-15,17-18H2,(H,27,29)/t22-,23-/m1/s1.
What are the key properties of (2S)-6-[(2S)-2-cyclopentyl-2-phenylacetyl]-N-(furan-2-ylmethyl)-6-azaspiro[2.5]octane-2-carboxamide?
(2S)-6-[(2S)-2-cyclopentyl-2-phenylacetyl]-N-(furan-2-ylmethyl)-6-azaspiro[2.5]octane-2-carboxamide has a molecular weight of 420.55 g/mol, XLogP of 4.50, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-6-[(2S)-2-cyclopentyl-2-phenylacetyl]-N-(furan-2-ylmethyl)-6-azaspiro[2.5]octane-2-carboxamide is sourced from PubChem (CID 42539996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).