N-[(4S)-4-(2-azaspiro[4.6]undecan-2-yl)-2-methylpentan-2-yl]acetamide

C18H34N2O — CID 164639373

IUPACN-[(4S)-4-(2-azaspiro[4.6]undecan-2-yl)-2-methylpentan-2-yl]acetamide
SMILESCC(=O)NC(C)(C)C[C@H](C)N1CCC2(CCCCCC2)C1
InChIInChI=1S/C18H34N2O/c1-15(13-17(3,4)19-16(2)21)20-12-11-18(14-20)9-7-5-6-8-10-18/h15H,5-14H2,1-4H3,(H,19,21)/t15-/m0/s1
InChIKeyNBMROBOWCGOQFS-HNNXBMFYSA-N
MW294.48 g/mol
LogP3.73
Rot. Bonds4

About N-[(4S)-4-(2-azaspiro[4.6]undecan-2-yl)-2-methylpentan-2-yl]acetamide

N-[(4S)-4-(2-azaspiro[4.6]undecan-2-yl)-2-methylpentan-2-yl]acetamide (PubChem CID 164639373) has the molecular formula C18H34N2O and a molecular weight of 294.48 g/mol. Its IUPAC name is N-[(4S)-4-(2-azaspiro[4.6]undecan-2-yl)-2-methylpentan-2-yl]acetamide.

Molecular Properties

Compound NameN-[(4S)-4-(2-azaspiro[4.6]undecan-2-yl)-2-methylpentan-2-yl]acetamide
PubChem CID164639373
Molecular FormulaC18H34N2O
Molecular Weight294.48 g/mol
Exact Mass294.27
IUPAC NameN-[(4S)-4-(2-azaspiro[4.6]undecan-2-yl)-2-methylpentan-2-yl]acetamide
SMILESCC(=O)NC(C)(C)C[C@H](C)N1CCC2(CCCCCC2)C1
InChIInChI=1S/C18H34N2O/c1-15(13-17(3,4)19-16(2)21)20-12-11-18(14-20)9-7-5-6-8-10-18/h15H,5-14H2,1-4H3,(H,19,21)/t15-/m0/s1
InChIKeyNBMROBOWCGOQFS-HNNXBMFYSA-N
XLogP3.73
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.48
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[(4S)-4-(2-azaspiro[4.6]undecan-2-yl)-2-methylpentan-2-yl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[(4S)-4-(2-azaspiro[4.6]undecan-2-yl)-2-methylpentan-2-yl]acetamide?
The IUPAC name of N-[(4S)-4-(2-azaspiro[4.6]undecan-2-yl)-2-methylpentan-2-yl]acetamide (CID 164639373) is N-[(4S)-4-(2-azaspiro[4.6]undecan-2-yl)-2-methylpentan-2-yl]acetamide.
What is the SMILES notation for N-[(4S)-4-(2-azaspiro[4.6]undecan-2-yl)-2-methylpentan-2-yl]acetamide?
The canonical SMILES for N-[(4S)-4-(2-azaspiro[4.6]undecan-2-yl)-2-methylpentan-2-yl]acetamide is CC(=O)NC(C)(C)C[C@H](C)N1CCC2(CCCCCC2)C1.
What is the InChIKey of N-[(4S)-4-(2-azaspiro[4.6]undecan-2-yl)-2-methylpentan-2-yl]acetamide?
The InChIKey is NBMROBOWCGOQFS-HNNXBMFYSA-N. The full InChI is InChI=1S/C18H34N2O/c1-15(13-17(3,4)19-16(2)21)20-12-11-18(14-20)9-7-5-6-8-10-18/h15H,5-14H2,1-4H3,(H,19,21)/t15-/m0/s1.
What are the key properties of N-[(4S)-4-(2-azaspiro[4.6]undecan-2-yl)-2-methylpentan-2-yl]acetamide?
N-[(4S)-4-(2-azaspiro[4.6]undecan-2-yl)-2-methylpentan-2-yl]acetamide has a molecular weight of 294.48 g/mol, XLogP of 3.73, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4S)-4-(2-azaspiro[4.6]undecan-2-yl)-2-methylpentan-2-yl]acetamide is sourced from PubChem (CID 164639373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).