4-(dimethylamino)-N-[4-[3-(2-methoxyphenyl)-3,9-diazaspiro[5.5]undecan-9-yl]butyl]benzamide

C29H42N4O2 — CID 142573405

IUPAC4-(dimethylamino)-N-[4-[3-(2-methoxyphenyl)-3,9-diazaspiro[5.5]undecan-9-yl]butyl]benzamide
SMILESCOc1ccccc1N1CCC2(CCN(CCCCNC(=O)c3ccc(N(C)C)cc3)CC2)CC1
InChIInChI=1S/C29H42N4O2/c1-31(2)25-12-10-24(11-13-25)28(34)30-18-6-7-19-32-20-14-29(15-21-32)16-22-33(23-17-29)26-8-4-5-9-27(26)35-3/h4-5,8-13H,6-7,14-23H2,1-3H3,(H,30,34)
InChIKeyGOESYBVAFIXBFO-UHFFFAOYSA-N
MW478.68 g/mol
LogP4.65
Rot. Bonds9

About 4-(dimethylamino)-N-[4-[3-(2-methoxyphenyl)-3,9-diazaspiro[5.5]undecan-9-yl]butyl]benzamide

4-(dimethylamino)-N-[4-[3-(2-methoxyphenyl)-3,9-diazaspiro[5.5]undecan-9-yl]butyl]benzamide (PubChem CID 142573405) has the molecular formula C29H42N4O2 and a molecular weight of 478.68 g/mol. Its IUPAC name is 4-(dimethylamino)-N-[4-[3-(2-methoxyphenyl)-3,9-diazaspiro[5.5]undecan-9-yl]butyl]benzamide.

Molecular Properties

Compound Name4-(dimethylamino)-N-[4-[3-(2-methoxyphenyl)-3,9-diazaspiro[5.5]undecan-9-yl]butyl]benzamide
PubChem CID142573405
Molecular FormulaC29H42N4O2
Molecular Weight478.68 g/mol
Exact Mass478.33
IUPAC Name4-(dimethylamino)-N-[4-[3-(2-methoxyphenyl)-3,9-diazaspiro[5.5]undecan-9-yl]butyl]benzamide
SMILESCOc1ccccc1N1CCC2(CCN(CCCCNC(=O)c3ccc(N(C)C)cc3)CC2)CC1
InChIInChI=1S/C29H42N4O2/c1-31(2)25-12-10-24(11-13-25)28(34)30-18-6-7-19-32-20-14-29(15-21-32)16-22-33(23-17-29)26-8-4-5-9-27(26)35-3/h4-5,8-13H,6-7,14-23H2,1-3H3,(H,30,34)
InChIKeyGOESYBVAFIXBFO-UHFFFAOYSA-N
XLogP4.65
TPSA48.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.68
LogP ≤ 54.65
H-Bond Donors ≤ 51
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 4-(dimethylamino)-N-[4-[3-(2-methoxyphenyl)-3,9-diazaspiro[5.5]undecan-9-yl]butyl]benzamide?
The IUPAC name of 4-(dimethylamino)-N-[4-[3-(2-methoxyphenyl)-3,9-diazaspiro[5.5]undecan-9-yl]butyl]benzamide (CID 142573405) is 4-(dimethylamino)-N-[4-[3-(2-methoxyphenyl)-3,9-diazaspiro[5.5]undecan-9-yl]butyl]benzamide.
What is the SMILES notation for 4-(dimethylamino)-N-[4-[3-(2-methoxyphenyl)-3,9-diazaspiro[5.5]undecan-9-yl]butyl]benzamide?
The canonical SMILES for 4-(dimethylamino)-N-[4-[3-(2-methoxyphenyl)-3,9-diazaspiro[5.5]undecan-9-yl]butyl]benzamide is COc1ccccc1N1CCC2(CCN(CCCCNC(=O)c3ccc(N(C)C)cc3)CC2)CC1.
What is the InChIKey of 4-(dimethylamino)-N-[4-[3-(2-methoxyphenyl)-3,9-diazaspiro[5.5]undecan-9-yl]butyl]benzamide?
The InChIKey is GOESYBVAFIXBFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H42N4O2/c1-31(2)25-12-10-24(11-13-25)28(34)30-18-6-7-19-32-20-14-29(15-21-32)16-22-33(23-17-29)26-8-4-5-9-27(26)35-3/h4-5,8-13H,6-7,14-23H2,1-3H3,(H,30,34).
What are the key properties of 4-(dimethylamino)-N-[4-[3-(2-methoxyphenyl)-3,9-diazaspiro[5.5]undecan-9-yl]butyl]benzamide?
4-(dimethylamino)-N-[4-[3-(2-methoxyphenyl)-3,9-diazaspiro[5.5]undecan-9-yl]butyl]benzamide has a molecular weight of 478.68 g/mol, XLogP of 4.65, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(dimethylamino)-N-[4-[3-(2-methoxyphenyl)-3,9-diazaspiro[5.5]undecan-9-yl]butyl]benzamide is sourced from PubChem (CID 142573405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).