2-[8-(dimethylamino)-1-(3-methoxypropyl)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-N-[(3-hydroxycyclobutyl)methyl]acetamide

C27H42N4O4 — CID 130200565

IUPAC2-[8-(dimethylamino)-1-(3-methoxypropyl)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-N-[(3-hydroxycyclobutyl)methyl]acetamide
SMILESCOCCCN1C(=O)N(CC(=O)NCC2CC(O)C2)CC12CCC(c1ccccc1)(N(C)C)CC2
InChIInChI=1S/C27H42N4O4/c1-29(2)27(22-8-5-4-6-9-22)12-10-26(11-13-27)20-30(25(34)31(26)14-7-15-35-3)19-24(33)28-18-21-16-23(32)17-21/h4-6,8-9,21,23,32H,7,10-20H2,1-3H3,(H,28,33)
InChIKeyONNGGQRVMLKSQE-UHFFFAOYSA-N
MW486.66 g/mol
LogP2.42
Rot. Bonds10

About 2-[8-(dimethylamino)-1-(3-methoxypropyl)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-N-[(3-hydroxycyclobutyl)methyl]acetamide

2-[8-(dimethylamino)-1-(3-methoxypropyl)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-N-[(3-hydroxycyclobutyl)methyl]acetamide (PubChem CID 130200565) has the molecular formula C27H42N4O4 and a molecular weight of 486.66 g/mol. Its IUPAC name is 2-[8-(dimethylamino)-1-(3-methoxypropyl)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-N-[(3-hydroxycyclobutyl)methyl]acetamide.

Molecular Properties

Compound Name2-[8-(dimethylamino)-1-(3-methoxypropyl)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-N-[(3-hydroxycyclobutyl)methyl]acetamide
PubChem CID130200565
Molecular FormulaC27H42N4O4
Molecular Weight486.66 g/mol
Exact Mass486.32
IUPAC Name2-[8-(dimethylamino)-1-(3-methoxypropyl)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-N-[(3-hydroxycyclobutyl)methyl]acetamide
SMILESCOCCCN1C(=O)N(CC(=O)NCC2CC(O)C2)CC12CCC(c1ccccc1)(N(C)C)CC2
InChIInChI=1S/C27H42N4O4/c1-29(2)27(22-8-5-4-6-9-22)12-10-26(11-13-27)20-30(25(34)31(26)14-7-15-35-3)19-24(33)28-18-21-16-23(32)17-21/h4-6,8-9,21,23,32H,7,10-20H2,1-3H3,(H,28,33)
InChIKeyONNGGQRVMLKSQE-UHFFFAOYSA-N
XLogP2.42
TPSA85.35 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500486.66
LogP ≤ 52.42
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-[8-(dimethylamino)-1-(3-methoxypropyl)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-N-[(3-hydroxycyclobutyl)methyl]acetamide?
The IUPAC name of 2-[8-(dimethylamino)-1-(3-methoxypropyl)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-N-[(3-hydroxycyclobutyl)methyl]acetamide (CID 130200565) is 2-[8-(dimethylamino)-1-(3-methoxypropyl)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-N-[(3-hydroxycyclobutyl)methyl]acetamide.
What is the SMILES notation for 2-[8-(dimethylamino)-1-(3-methoxypropyl)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-N-[(3-hydroxycyclobutyl)methyl]acetamide?
The canonical SMILES for 2-[8-(dimethylamino)-1-(3-methoxypropyl)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-N-[(3-hydroxycyclobutyl)methyl]acetamide is COCCCN1C(=O)N(CC(=O)NCC2CC(O)C2)CC12CCC(c1ccccc1)(N(C)C)CC2.
What is the InChIKey of 2-[8-(dimethylamino)-1-(3-methoxypropyl)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-N-[(3-hydroxycyclobutyl)methyl]acetamide?
The InChIKey is ONNGGQRVMLKSQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H42N4O4/c1-29(2)27(22-8-5-4-6-9-22)12-10-26(11-13-27)20-30(25(34)31(26)14-7-15-35-3)19-24(33)28-18-21-16-23(32)17-21/h4-6,8-9,21,23,32H,7,10-20H2,1-3H3,(H,28,33).
What are the key properties of 2-[8-(dimethylamino)-1-(3-methoxypropyl)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-N-[(3-hydroxycyclobutyl)methyl]acetamide?
2-[8-(dimethylamino)-1-(3-methoxypropyl)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-N-[(3-hydroxycyclobutyl)methyl]acetamide has a molecular weight of 486.66 g/mol, XLogP of 2.42, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[8-(dimethylamino)-1-(3-methoxypropyl)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-N-[(3-hydroxycyclobutyl)methyl]acetamide is sourced from PubChem (CID 130200565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).