2-[8-(dimethylamino)-3-[(4-methoxyphenyl)methyl]-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-1-yl]-N-methyl-N-propylacetamide

C30H42N4O3 — CID 130202506

IUPAC2-[8-(dimethylamino)-3-[(4-methoxyphenyl)methyl]-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-1-yl]-N-methyl-N-propylacetamide
SMILESCCCN(C)C(=O)CN1C(=O)N(Cc2ccc(OC)cc2)CC12CCC(c1ccccc1)(N(C)C)CC2
InChIInChI=1S/C30H42N4O3/c1-6-20-32(4)27(35)22-34-28(36)33(21-24-12-14-26(37-5)15-13-24)23-29(34)16-18-30(19-17-29,31(2)3)25-10-8-7-9-11-25/h7-15H,6,16-23H2,1-5H3
InChIKeyQGJPAYXWBBDAMS-UHFFFAOYSA-N
MW506.69 g/mol
LogP4.57
Rot. Bonds9

About 2-[8-(dimethylamino)-3-[(4-methoxyphenyl)methyl]-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-1-yl]-N-methyl-N-propylacetamide

2-[8-(dimethylamino)-3-[(4-methoxyphenyl)methyl]-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-1-yl]-N-methyl-N-propylacetamide (PubChem CID 130202506) has the molecular formula C30H42N4O3 and a molecular weight of 506.69 g/mol. Its IUPAC name is 2-[8-(dimethylamino)-3-[(4-methoxyphenyl)methyl]-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-1-yl]-N-methyl-N-propylacetamide.

Molecular Properties

Compound Name2-[8-(dimethylamino)-3-[(4-methoxyphenyl)methyl]-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-1-yl]-N-methyl-N-propylacetamide
PubChem CID130202506
Molecular FormulaC30H42N4O3
Molecular Weight506.69 g/mol
Exact Mass506.33
IUPAC Name2-[8-(dimethylamino)-3-[(4-methoxyphenyl)methyl]-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-1-yl]-N-methyl-N-propylacetamide
SMILESCCCN(C)C(=O)CN1C(=O)N(Cc2ccc(OC)cc2)CC12CCC(c1ccccc1)(N(C)C)CC2
InChIInChI=1S/C30H42N4O3/c1-6-20-32(4)27(35)22-34-28(36)33(21-24-12-14-26(37-5)15-13-24)23-29(34)16-18-30(19-17-29,31(2)3)25-10-8-7-9-11-25/h7-15H,6,16-23H2,1-5H3
InChIKeyQGJPAYXWBBDAMS-UHFFFAOYSA-N
XLogP4.57
TPSA56.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500506.69
LogP ≤ 54.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[8-(dimethylamino)-3-[(4-methoxyphenyl)methyl]-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-1-yl]-N-methyl-N-propylacetamide?
The IUPAC name of 2-[8-(dimethylamino)-3-[(4-methoxyphenyl)methyl]-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-1-yl]-N-methyl-N-propylacetamide (CID 130202506) is 2-[8-(dimethylamino)-3-[(4-methoxyphenyl)methyl]-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-1-yl]-N-methyl-N-propylacetamide.
What is the SMILES notation for 2-[8-(dimethylamino)-3-[(4-methoxyphenyl)methyl]-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-1-yl]-N-methyl-N-propylacetamide?
The canonical SMILES for 2-[8-(dimethylamino)-3-[(4-methoxyphenyl)methyl]-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-1-yl]-N-methyl-N-propylacetamide is CCCN(C)C(=O)CN1C(=O)N(Cc2ccc(OC)cc2)CC12CCC(c1ccccc1)(N(C)C)CC2.
What is the InChIKey of 2-[8-(dimethylamino)-3-[(4-methoxyphenyl)methyl]-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-1-yl]-N-methyl-N-propylacetamide?
The InChIKey is QGJPAYXWBBDAMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H42N4O3/c1-6-20-32(4)27(35)22-34-28(36)33(21-24-12-14-26(37-5)15-13-24)23-29(34)16-18-30(19-17-29,31(2)3)25-10-8-7-9-11-25/h7-15H,6,16-23H2,1-5H3.
What are the key properties of 2-[8-(dimethylamino)-3-[(4-methoxyphenyl)methyl]-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-1-yl]-N-methyl-N-propylacetamide?
2-[8-(dimethylamino)-3-[(4-methoxyphenyl)methyl]-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-1-yl]-N-methyl-N-propylacetamide has a molecular weight of 506.69 g/mol, XLogP of 4.57, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[8-(dimethylamino)-3-[(4-methoxyphenyl)methyl]-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-1-yl]-N-methyl-N-propylacetamide is sourced from PubChem (CID 130202506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).