N-[2-[2-[6-[(4R,5S)-5-methyl-2-oxoimidazolidin-4-yl]hexanoyl]-2,8-diazaspiro[4.5]decan-8-yl]-2-oxoethyl]furan-2-carboxamide

About N-[2-[2-[6-[(4R,5S)-5-methyl-2-oxoimidazolidin-4-yl]hexanoyl]-2,8-diazaspiro[4.5]decan-8-yl]-2-oxoethyl]furan-2-carboxamide

N-[2-[2-[6-[(4R,5S)-5-methyl-2-oxoimidazolidin-4-yl]hexanoyl]-2,8-diazaspiro[4.5]decan-8-yl]-2-oxoethyl]furan-2-carboxamide (PubChem CID 74224465) has the molecular formula C25H37N5O5 and a molecular weight of 487.60 g/mol. Its IUPAC name is N-[2-[2-[6-[(4R,5S)-5-methyl-2-oxoimidazolidin-4-yl]hexanoyl]-2,8-diazaspiro[4.5]decan-8-yl]-2-oxoethyl]furan-2-carboxamide.

Molecular Properties

Compound Name	N-[2-[2-[6-[(4R,5S)-5-methyl-2-oxoimidazolidin-4-yl]hexanoyl]-2,8-diazaspiro[4.5]decan-8-yl]-2-oxoethyl]furan-2-carboxamide
PubChem CID	74224465
Molecular Formula	C25H37N5O5
Molecular Weight	487.60 g/mol
Exact Mass	487.28
IUPAC Name	N-[2-[2-[6-[(4R,5S)-5-methyl-2-oxoimidazolidin-4-yl]hexanoyl]-2,8-diazaspiro[4.5]decan-8-yl]-2-oxoethyl]furan-2-carboxamide
SMILES	C[C@@H]1NC(=O)N[C@@H]1CCCCCC(=O)N1CCC2(CCN(C(=O)CNC(=O)c3ccco3)CC2)C1
InChI	InChI=1S/C25H37N5O5/c1-18-19(28-24(34)27-18)6-3-2-4-8-21(31)30-14-11-25(17-30)9-12-29(13-10-25)22(32)16-26-23(33)20-7-5-15-35-20/h5,7,15,18-19H,2-4,6,8-14,16-17H2,1H3,(H,26,33)(H2,27,28,34)/t18-,19+/m0/s1
InChIKey	PREADXRMIDVLDU-RBUKOAKNSA-N
XLogP	1.87
TPSA	123.99 Å²
H-Bond Donors	3
H-Bond Acceptors	5
Rotatable Bonds	9
Heavy Atoms	35
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	487.60
LogP ≤ 5	1.87
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

Structural Alerts	{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Related Compounds

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-[6-[(4R,5S)-5-methyl-2-oxoimidazolidin-4-yl]hexanoyl]-2,8-diazaspiro[4.5]decan-8-yl]-2-oxoethyl]furan-2-carboxamide?

The IUPAC name of N-[2-[2-[6-[(4R,5S)-5-methyl-2-oxoimidazolidin-4-yl]hexanoyl]-2,8-diazaspiro[4.5]decan-8-yl]-2-oxoethyl]furan-2-carboxamide (CID 74224465) is N-[2-[2-[6-[(4R,5S)-5-methyl-2-oxoimidazolidin-4-yl]hexanoyl]-2,8-diazaspiro[4.5]decan-8-yl]-2-oxoethyl]furan-2-carboxamide.

What is the SMILES notation for N-[2-[2-[6-[(4R,5S)-5-methyl-2-oxoimidazolidin-4-yl]hexanoyl]-2,8-diazaspiro[4.5]decan-8-yl]-2-oxoethyl]furan-2-carboxamide?

The canonical SMILES for N-[2-[2-[6-[(4R,5S)-5-methyl-2-oxoimidazolidin-4-yl]hexanoyl]-2,8-diazaspiro[4.5]decan-8-yl]-2-oxoethyl]furan-2-carboxamide is C[C@@H]1NC(=O)N[C@@H]1CCCCCC(=O)N1CCC2(CCN(C(=O)CNC(=O)c3ccco3)CC2)C1.

What is the InChIKey of N-[2-[2-[6-[(4R,5S)-5-methyl-2-oxoimidazolidin-4-yl]hexanoyl]-2,8-diazaspiro[4.5]decan-8-yl]-2-oxoethyl]furan-2-carboxamide?

The InChIKey is PREADXRMIDVLDU-RBUKOAKNSA-N. The full InChI is InChI=1S/C25H37N5O5/c1-18-19(28-24(34)27-18)6-3-2-4-8-21(31)30-14-11-25(17-30)9-12-29(13-10-25)22(32)16-26-23(33)20-7-5-15-35-20/h5,7,15,18-19H,2-4,6,8-14,16-17H2,1H3,(H,26,33)(H2,27,28,34)/t18-,19+/m0/s1.

What are the key properties of N-[2-[2-[6-[(4R,5S)-5-methyl-2-oxoimidazolidin-4-yl]hexanoyl]-2,8-diazaspiro[4.5]decan-8-yl]-2-oxoethyl]furan-2-carboxamide?

N-[2-[2-[6-[(4R,5S)-5-methyl-2-oxoimidazolidin-4-yl]hexanoyl]-2,8-diazaspiro[4.5]decan-8-yl]-2-oxoethyl]furan-2-carboxamide has a molecular weight of 487.60 g/mol, XLogP of 1.87, 9 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-[2-[6-[(4R,5S)-5-methyl-2-oxoimidazolidin-4-yl]hexanoyl]-2,8-diazaspiro[4.5]decan-8-yl]-2-oxoethyl]furan-2-carboxamide is sourced from PubChem (CID 74224465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).