2-(oxan-4-yl)-N-[7-[(4-propan-2-ylphenyl)methyl]-7-azaspiro[3.5]nonan-2-yl]acetamide

C25H38N2O2 — CID 155874944

IUPAC2-(oxan-4-yl)-N-[7-[(4-propan-2-ylphenyl)methyl]-7-azaspiro[3.5]nonan-2-yl]acetamide
SMILESCC(C)c1ccc(CN2CCC3(CC2)CC(NC(=O)CC2CCOCC2)C3)cc1
InChIInChI=1S/C25H38N2O2/c1-19(2)22-5-3-21(4-6-22)18-27-11-9-25(10-12-27)16-23(17-25)26-24(28)15-20-7-13-29-14-8-20/h3-6,19-20,23H,7-18H2,1-2H3,(H,26,28)
InChIKeyBWPAIHDSGNFVPN-UHFFFAOYSA-N
MW398.59 g/mol
LogP4.49
Rot. Bonds6

About 2-(oxan-4-yl)-N-[7-[(4-propan-2-ylphenyl)methyl]-7-azaspiro[3.5]nonan-2-yl]acetamide

2-(oxan-4-yl)-N-[7-[(4-propan-2-ylphenyl)methyl]-7-azaspiro[3.5]nonan-2-yl]acetamide (PubChem CID 155874944) has the molecular formula C25H38N2O2 and a molecular weight of 398.59 g/mol. Its IUPAC name is 2-(oxan-4-yl)-N-[7-[(4-propan-2-ylphenyl)methyl]-7-azaspiro[3.5]nonan-2-yl]acetamide.

Molecular Properties

Compound Name2-(oxan-4-yl)-N-[7-[(4-propan-2-ylphenyl)methyl]-7-azaspiro[3.5]nonan-2-yl]acetamide
PubChem CID155874944
Molecular FormulaC25H38N2O2
Molecular Weight398.59 g/mol
Exact Mass398.29
IUPAC Name2-(oxan-4-yl)-N-[7-[(4-propan-2-ylphenyl)methyl]-7-azaspiro[3.5]nonan-2-yl]acetamide
SMILESCC(C)c1ccc(CN2CCC3(CC2)CC(NC(=O)CC2CCOCC2)C3)cc1
InChIInChI=1S/C25H38N2O2/c1-19(2)22-5-3-21(4-6-22)18-27-11-9-25(10-12-27)16-23(17-25)26-24(28)15-20-7-13-29-14-8-20/h3-6,19-20,23H,7-18H2,1-2H3,(H,26,28)
InChIKeyBWPAIHDSGNFVPN-UHFFFAOYSA-N
XLogP4.49
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.59
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(oxan-4-yl)-N-[7-[(4-propan-2-ylphenyl)methyl]-7-azaspiro[3.5]nonan-2-yl]acetamide with MolForge

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Related Compounds

2-[1-[(3-methylphenyl)methyl]piperidin-4-yl]-N-(oxan-4-yl)acetamide
CID 165431669
4-[[1-[(4-propan-2-ylphenyl)methyl]piperidin-4-yl]methyl]morpholine
CID 60503695
N-methyl-1-[(4-propan-2-ylphenyl)methyl]piperidin-4-amine
CID 60820296
2-[1-[(2-bromophenyl)methyl]piperidin-4-yl]-N-(oxan-4-yl)acetamide
CID 165431902
ethyl 4-[[2-[4-[(4-propan-2-ylphenyl)methyl]piperazin-1-yl]acetyl]amino]piperidine-1-carboxylate
CID 8616599
1-(oxolan-3-yl)-3-(4-propan-2-ylphenyl)propan-2-one
CID 103986247
3-methyl-1-[9-[(4-propan-2-ylphenyl)methyl]-4-oxa-1,9-diazaspiro[5.5]undecan-1-yl]butan-1-one
CID 134807961
8-[(4-propan-2-ylphenyl)methyl]-1-oxa-4,8-diazaspiro[4.5]decane
CID 58245068
4-[4-[[1-[(3,4-dichlorophenyl)methyl]piperidin-4-yl]amino]-4-oxobutan-2-yl]benzoic acid
CID 24745154
N-(1-benzylpiperidin-4-yl)-4-propan-2-ylbenzamide
CID 26681867
2-(oxolan-3-yl)-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]acetamide
CID 131902739
cyclopentyl N-(7-benzyl-7-azaspiro[3.5]nonan-2-yl)carbamate
CID 155875097

Frequently Asked Questions

What is the IUPAC name of 2-(oxan-4-yl)-N-[7-[(4-propan-2-ylphenyl)methyl]-7-azaspiro[3.5]nonan-2-yl]acetamide?
The IUPAC name of 2-(oxan-4-yl)-N-[7-[(4-propan-2-ylphenyl)methyl]-7-azaspiro[3.5]nonan-2-yl]acetamide (CID 155874944) is 2-(oxan-4-yl)-N-[7-[(4-propan-2-ylphenyl)methyl]-7-azaspiro[3.5]nonan-2-yl]acetamide.
What is the SMILES notation for 2-(oxan-4-yl)-N-[7-[(4-propan-2-ylphenyl)methyl]-7-azaspiro[3.5]nonan-2-yl]acetamide?
The canonical SMILES for 2-(oxan-4-yl)-N-[7-[(4-propan-2-ylphenyl)methyl]-7-azaspiro[3.5]nonan-2-yl]acetamide is CC(C)c1ccc(CN2CCC3(CC2)CC(NC(=O)CC2CCOCC2)C3)cc1.
What is the InChIKey of 2-(oxan-4-yl)-N-[7-[(4-propan-2-ylphenyl)methyl]-7-azaspiro[3.5]nonan-2-yl]acetamide?
The InChIKey is BWPAIHDSGNFVPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H38N2O2/c1-19(2)22-5-3-21(4-6-22)18-27-11-9-25(10-12-27)16-23(17-25)26-24(28)15-20-7-13-29-14-8-20/h3-6,19-20,23H,7-18H2,1-2H3,(H,26,28).
What are the key properties of 2-(oxan-4-yl)-N-[7-[(4-propan-2-ylphenyl)methyl]-7-azaspiro[3.5]nonan-2-yl]acetamide?
2-(oxan-4-yl)-N-[7-[(4-propan-2-ylphenyl)methyl]-7-azaspiro[3.5]nonan-2-yl]acetamide has a molecular weight of 398.59 g/mol, XLogP of 4.49, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(oxan-4-yl)-N-[7-[(4-propan-2-ylphenyl)methyl]-7-azaspiro[3.5]nonan-2-yl]acetamide is sourced from PubChem (CID 155874944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).