8-(dimethylamino)-1-(4-methoxybutyl)-3-[(4-methoxyphenyl)methyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one

C29H41N3O3 — CID 130202378

IUPAC8-(dimethylamino)-1-(4-methoxybutyl)-3-[(4-methoxyphenyl)methyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one
SMILESCOCCCCN1C(=O)N(Cc2ccc(OC)cc2)CC12CCC(c1ccccc1)(N(C)C)CC2
InChIInChI=1S/C29H41N3O3/c1-30(2)29(25-10-6-5-7-11-25)18-16-28(17-19-29)23-31(22-24-12-14-26(35-4)15-13-24)27(33)32(28)20-8-9-21-34-3/h5-7,10-15H,8-9,16-23H2,1-4H3
InChIKeyKDLYBOULYFJNGG-UHFFFAOYSA-N
MW479.67 g/mol
LogP5.13
Rot. Bonds10

About 8-(dimethylamino)-1-(4-methoxybutyl)-3-[(4-methoxyphenyl)methyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one

8-(dimethylamino)-1-(4-methoxybutyl)-3-[(4-methoxyphenyl)methyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one (PubChem CID 130202378) has the molecular formula C29H41N3O3 and a molecular weight of 479.67 g/mol. Its IUPAC name is 8-(dimethylamino)-1-(4-methoxybutyl)-3-[(4-methoxyphenyl)methyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one.

Molecular Properties

Compound Name8-(dimethylamino)-1-(4-methoxybutyl)-3-[(4-methoxyphenyl)methyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one
PubChem CID130202378
Molecular FormulaC29H41N3O3
Molecular Weight479.67 g/mol
Exact Mass479.31
IUPAC Name8-(dimethylamino)-1-(4-methoxybutyl)-3-[(4-methoxyphenyl)methyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one
SMILESCOCCCCN1C(=O)N(Cc2ccc(OC)cc2)CC12CCC(c1ccccc1)(N(C)C)CC2
InChIInChI=1S/C29H41N3O3/c1-30(2)29(25-10-6-5-7-11-25)18-16-28(17-19-29)23-31(22-24-12-14-26(35-4)15-13-24)27(33)32(28)20-8-9-21-34-3/h5-7,10-15H,8-9,16-23H2,1-4H3
InChIKeyKDLYBOULYFJNGG-UHFFFAOYSA-N
XLogP5.13
TPSA45.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500479.67
LogP ≤ 55.13
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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Related Compounds

1-Methyl-3-(2-oxo-4,4-diphenyl-imidazolidin-1-yl)-1-(3-phenoxy-propyl)-pyrrolidinium
CID 16125587
(R)-N-(1-(4-methoxyphenyl)ethyl)-3,3-diphenyl-N-(2-(pyrrolidin-1-yl)ethyl)prop-2-en-1-amine
CID 155689935
3-(1-Benzyl-piperidin-4-yl)-5,5-di-(4-methoxyphenyl)-imidazolidin-2-one
CID 16125224
3-(1-(3-Methoxybenzyl)-piperidin-4-yl)-5,5-diphenyl-imidazolidin-2-one
CID 16125571
3-(1-(4-Methoxybenzyl)-piperidin-4-yl)-5,5-diphenyl-imidazolidin-2-one
CID 16125618
1-[1-(3,3-Diphenyl-propyl)-piperidin-4-yl]-1-ethyl-3-(4-methoxy-benzyl)-urea
CID 44392253
(4R)-1-cyclohexyl-3-[1-[(4-phenoxyphenyl)methyl]piperidin-4-yl]-4-phenylimidazolidin-2-one
CID 73355478
4-N-[(4-methoxyphenyl)methyl]-1-N,1-N,4-N-trimethyl-1,4-diphenylcyclohexane-1,4-diamine
CID 44253419
US10829480, Example SC_2010
CID 130200809
US10829480, Example SC_2017
CID 130200930
US10829480, Example SC_2011
CID 130202413
US10829480, Example SC_2039
CID 130202414

Frequently Asked Questions

What is the IUPAC name of 8-(dimethylamino)-1-(4-methoxybutyl)-3-[(4-methoxyphenyl)methyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one?
The IUPAC name of 8-(dimethylamino)-1-(4-methoxybutyl)-3-[(4-methoxyphenyl)methyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one (CID 130202378) is 8-(dimethylamino)-1-(4-methoxybutyl)-3-[(4-methoxyphenyl)methyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one.
What is the SMILES notation for 8-(dimethylamino)-1-(4-methoxybutyl)-3-[(4-methoxyphenyl)methyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one?
The canonical SMILES for 8-(dimethylamino)-1-(4-methoxybutyl)-3-[(4-methoxyphenyl)methyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one is COCCCCN1C(=O)N(Cc2ccc(OC)cc2)CC12CCC(c1ccccc1)(N(C)C)CC2.
What is the InChIKey of 8-(dimethylamino)-1-(4-methoxybutyl)-3-[(4-methoxyphenyl)methyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one?
The InChIKey is KDLYBOULYFJNGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H41N3O3/c1-30(2)29(25-10-6-5-7-11-25)18-16-28(17-19-29)23-31(22-24-12-14-26(35-4)15-13-24)27(33)32(28)20-8-9-21-34-3/h5-7,10-15H,8-9,16-23H2,1-4H3.
What are the key properties of 8-(dimethylamino)-1-(4-methoxybutyl)-3-[(4-methoxyphenyl)methyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one?
8-(dimethylamino)-1-(4-methoxybutyl)-3-[(4-methoxyphenyl)methyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one has a molecular weight of 479.67 g/mol, XLogP of 5.13, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(dimethylamino)-1-(4-methoxybutyl)-3-[(4-methoxyphenyl)methyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one is sourced from PubChem (CID 130202378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).