2-[3-[8-(dimethylamino)-1-(3-methoxypropyl)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]propanoylamino]-2-methylpropanamide

C27H43N5O4 — CID 130200938

IUPAC2-[3-[8-(dimethylamino)-1-(3-methoxypropyl)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]propanoylamino]-2-methylpropanamide
SMILESCOCCCN1C(=O)N(CCC(=O)NC(C)(C)C(N)=O)CC12CCC(c1ccccc1)(N(C)C)CC2
InChIInChI=1S/C27H43N5O4/c1-25(2,23(28)34)29-22(33)12-18-31-20-26(32(24(31)35)17-9-19-36-5)13-15-27(16-14-26,30(3)4)21-10-7-6-8-11-21/h6-8,10-11H,9,12-20H2,1-5H3,(H2,28,34)(H,29,33)
InChIKeySHICPBZCHUDZKM-UHFFFAOYSA-N
MW501.67 g/mol
LogP2.30
Rot. Bonds11

About 2-[3-[8-(dimethylamino)-1-(3-methoxypropyl)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]propanoylamino]-2-methylpropanamide

2-[3-[8-(dimethylamino)-1-(3-methoxypropyl)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]propanoylamino]-2-methylpropanamide (PubChem CID 130200938) has the molecular formula C27H43N5O4 and a molecular weight of 501.67 g/mol. Its IUPAC name is 2-[3-[8-(dimethylamino)-1-(3-methoxypropyl)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]propanoylamino]-2-methylpropanamide.

Molecular Properties

Compound Name2-[3-[8-(dimethylamino)-1-(3-methoxypropyl)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]propanoylamino]-2-methylpropanamide
PubChem CID130200938
Molecular FormulaC27H43N5O4
Molecular Weight501.67 g/mol
Exact Mass501.33
IUPAC Name2-[3-[8-(dimethylamino)-1-(3-methoxypropyl)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]propanoylamino]-2-methylpropanamide
SMILESCOCCCN1C(=O)N(CCC(=O)NC(C)(C)C(N)=O)CC12CCC(c1ccccc1)(N(C)C)CC2
InChIInChI=1S/C27H43N5O4/c1-25(2,23(28)34)29-22(33)12-18-31-20-26(32(24(31)35)17-9-19-36-5)13-15-27(16-14-26,30(3)4)21-10-7-6-8-11-21/h6-8,10-11H,9,12-20H2,1-5H3,(H2,28,34)(H,29,33)
InChIKeySHICPBZCHUDZKM-UHFFFAOYSA-N
XLogP2.30
TPSA108.21 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500501.67
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[3-[8-(dimethylamino)-1-(3-methoxypropyl)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]propanoylamino]-2-methylpropanamide?
The IUPAC name of 2-[3-[8-(dimethylamino)-1-(3-methoxypropyl)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]propanoylamino]-2-methylpropanamide (CID 130200938) is 2-[3-[8-(dimethylamino)-1-(3-methoxypropyl)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]propanoylamino]-2-methylpropanamide.
What is the SMILES notation for 2-[3-[8-(dimethylamino)-1-(3-methoxypropyl)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]propanoylamino]-2-methylpropanamide?
The canonical SMILES for 2-[3-[8-(dimethylamino)-1-(3-methoxypropyl)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]propanoylamino]-2-methylpropanamide is COCCCN1C(=O)N(CCC(=O)NC(C)(C)C(N)=O)CC12CCC(c1ccccc1)(N(C)C)CC2.
What is the InChIKey of 2-[3-[8-(dimethylamino)-1-(3-methoxypropyl)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]propanoylamino]-2-methylpropanamide?
The InChIKey is SHICPBZCHUDZKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H43N5O4/c1-25(2,23(28)34)29-22(33)12-18-31-20-26(32(24(31)35)17-9-19-36-5)13-15-27(16-14-26,30(3)4)21-10-7-6-8-11-21/h6-8,10-11H,9,12-20H2,1-5H3,(H2,28,34)(H,29,33).
What are the key properties of 2-[3-[8-(dimethylamino)-1-(3-methoxypropyl)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]propanoylamino]-2-methylpropanamide?
2-[3-[8-(dimethylamino)-1-(3-methoxypropyl)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]propanoylamino]-2-methylpropanamide has a molecular weight of 501.67 g/mol, XLogP of 2.30, 11 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[8-(dimethylamino)-1-(3-methoxypropyl)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]propanoylamino]-2-methylpropanamide is sourced from PubChem (CID 130200938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).