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

C29H40N4O3 — CID 130229822

IUPAC2-[8-(dimethylamino)-1-(3-methoxypropyl)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-N-methyl-N-phenylacetamide
SMILESCOCCCN1C(=O)N(CC(=O)N(C)c2ccccc2)CC12CCC(c1ccccc1)(N(C)C)CC2
InChIInChI=1S/C29H40N4O3/c1-30(2)29(24-12-7-5-8-13-24)18-16-28(17-19-29)23-32(27(35)33(28)20-11-21-36-4)22-26(34)31(3)25-14-9-6-10-15-25/h5-10,12-15H,11,16-23H2,1-4H3
InChIKeyIGVCKNFGUHNILU-UHFFFAOYSA-N
MW492.66 g/mol
LogP4.19
Rot. Bonds9

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

2-[8-(dimethylamino)-1-(3-methoxypropyl)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-N-methyl-N-phenylacetamide (PubChem CID 130229822) has the molecular formula C29H40N4O3 and a molecular weight of 492.66 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-methyl-N-phenylacetamide.

Molecular Properties

Compound Name2-[8-(dimethylamino)-1-(3-methoxypropyl)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-N-methyl-N-phenylacetamide
PubChem CID130229822
Molecular FormulaC29H40N4O3
Molecular Weight492.66 g/mol
Exact Mass492.31
IUPAC Name2-[8-(dimethylamino)-1-(3-methoxypropyl)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-N-methyl-N-phenylacetamide
SMILESCOCCCN1C(=O)N(CC(=O)N(C)c2ccccc2)CC12CCC(c1ccccc1)(N(C)C)CC2
InChIInChI=1S/C29H40N4O3/c1-30(2)29(24-12-7-5-8-13-24)18-16-28(17-19-29)23-32(27(35)33(28)20-11-21-36-4)22-26(34)31(3)25-14-9-6-10-15-25/h5-10,12-15H,11,16-23H2,1-4H3
InChIKeyIGVCKNFGUHNILU-UHFFFAOYSA-N
XLogP4.19
TPSA56.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500492.66
LogP ≤ 54.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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-methyl-N-phenylacetamide?
The IUPAC name of 2-[8-(dimethylamino)-1-(3-methoxypropyl)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-N-methyl-N-phenylacetamide (CID 130229822) is 2-[8-(dimethylamino)-1-(3-methoxypropyl)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-N-methyl-N-phenylacetamide.
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-methyl-N-phenylacetamide?
The canonical SMILES for 2-[8-(dimethylamino)-1-(3-methoxypropyl)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-N-methyl-N-phenylacetamide is COCCCN1C(=O)N(CC(=O)N(C)c2ccccc2)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-methyl-N-phenylacetamide?
The InChIKey is IGVCKNFGUHNILU-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H40N4O3/c1-30(2)29(24-12-7-5-8-13-24)18-16-28(17-19-29)23-32(27(35)33(28)20-11-21-36-4)22-26(34)31(3)25-14-9-6-10-15-25/h5-10,12-15H,11,16-23H2,1-4H3.
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-methyl-N-phenylacetamide?
2-[8-(dimethylamino)-1-(3-methoxypropyl)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-N-methyl-N-phenylacetamide has a molecular weight of 492.66 g/mol, XLogP of 4.19, 9 rotatable bonds, 0 hydrogen bond donors, and 4 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-methyl-N-phenylacetamide is sourced from PubChem (CID 130229822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).