N-[3-[(2-cycloundecyloxyacetyl)amino]-1-bicyclo[1.1.1]pentanyl]cycloundecanecarboxamide

C30H52N2O3 — CID 138626606

IUPACN-[3-[(2-cycloundecyloxyacetyl)amino]-1-bicyclo[1.1.1]pentanyl]cycloundecanecarboxamide
SMILESO=C(COC1CCCCCCCCCC1)NC12CC(NC(=O)C3CCCCCCCCCC3)(C1)C2
InChIInChI=1S/C30H52N2O3/c33-27(21-35-26-19-15-11-7-3-4-8-12-16-20-26)31-29-22-30(23-29,24-29)32-28(34)25-17-13-9-5-1-2-6-10-14-18-25/h25-26H,1-24H2,(H,31,33)(H,32,34)
InChIKeyGGLKPSBQOABFBE-UHFFFAOYSA-N
MW488.76 g/mol
LogP6.72
Rot. Bonds6

About N-[3-[(2-cycloundecyloxyacetyl)amino]-1-bicyclo[1.1.1]pentanyl]cycloundecanecarboxamide

N-[3-[(2-cycloundecyloxyacetyl)amino]-1-bicyclo[1.1.1]pentanyl]cycloundecanecarboxamide (PubChem CID 138626606) has the molecular formula C30H52N2O3 and a molecular weight of 488.76 g/mol. Its IUPAC name is N-[3-[(2-cycloundecyloxyacetyl)amino]-1-bicyclo[1.1.1]pentanyl]cycloundecanecarboxamide.

Molecular Properties

Compound NameN-[3-[(2-cycloundecyloxyacetyl)amino]-1-bicyclo[1.1.1]pentanyl]cycloundecanecarboxamide
PubChem CID138626606
Molecular FormulaC30H52N2O3
Molecular Weight488.76 g/mol
Exact Mass488.40
IUPAC NameN-[3-[(2-cycloundecyloxyacetyl)amino]-1-bicyclo[1.1.1]pentanyl]cycloundecanecarboxamide
SMILESO=C(COC1CCCCCCCCCC1)NC12CC(NC(=O)C3CCCCCCCCCC3)(C1)C2
InChIInChI=1S/C30H52N2O3/c33-27(21-35-26-19-15-11-7-3-4-8-12-16-20-26)31-29-22-30(23-29,24-29)32-28(34)25-17-13-9-5-1-2-6-10-14-18-25/h25-26H,1-24H2,(H,31,33)(H,32,34)
InChIKeyGGLKPSBQOABFBE-UHFFFAOYSA-N
XLogP6.72
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500488.76
LogP ≤ 56.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-[3-[(2-cycloundecyloxyacetyl)amino]-1-bicyclo[1.1.1]pentanyl]cycloundecanecarboxamide with MolForge

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Related Compounds

N-[3-[(2-bromoacetyl)amino]-1-bicyclo[1.1.1]pentanyl]-2-cyclobutyloxyacetamide
CID 139512703
2-cyclopentyloxyacetohydrazide
CID 60782273
N-[6-[(2-cycloheptyloxyacetyl)amino]-3-pyridinyl]cyclobutanecarboxamide
CID 166280251
N-(2-cyclohexyloxyethyl)cyclohexanecarboxamide
CID 140689700
N-(1-adamantyl)-2-piperidin-4-yloxyacetamide
CID 63876004
N-[3-[[2-(4-chloro-3-fluorocyclohexyl)oxyacetyl]amino]-1-bicyclo[1.1.1]pentanyl]-5-ethylpiperidine-3-carboxamide
CID 149173544
2-cyclohexyloxy-N'-ethylacetohydrazide
CID 144767495
2-cycloheptyloxyacetic acid
CID 61069533
2-cyclododecyloxyacetic acid
CID 19371812
(2S)-N-[3-[[2-(4-chloro-3-fluorocyclohexyl)oxyacetyl]amino]-1-bicyclo[1.1.1]pentanyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-benzo[b][1,4]oxazine-2-carboxamide
CID 162446337
2-[[2-[(2-cyclooctyloxyacetyl)amino]acetyl]amino]acetic acid
CID 154992981
4-[[(4Z)-cyclooct-4-ene-1-carbonyl]amino]bicyclo[2.2.2]octane-1-carboxylic acid
CID 166251829

Frequently Asked Questions

What is the IUPAC name of N-[3-[(2-cycloundecyloxyacetyl)amino]-1-bicyclo[1.1.1]pentanyl]cycloundecanecarboxamide?
The IUPAC name of N-[3-[(2-cycloundecyloxyacetyl)amino]-1-bicyclo[1.1.1]pentanyl]cycloundecanecarboxamide (CID 138626606) is N-[3-[(2-cycloundecyloxyacetyl)amino]-1-bicyclo[1.1.1]pentanyl]cycloundecanecarboxamide.
What is the SMILES notation for N-[3-[(2-cycloundecyloxyacetyl)amino]-1-bicyclo[1.1.1]pentanyl]cycloundecanecarboxamide?
The canonical SMILES for N-[3-[(2-cycloundecyloxyacetyl)amino]-1-bicyclo[1.1.1]pentanyl]cycloundecanecarboxamide is O=C(COC1CCCCCCCCCC1)NC12CC(NC(=O)C3CCCCCCCCCC3)(C1)C2.
What is the InChIKey of N-[3-[(2-cycloundecyloxyacetyl)amino]-1-bicyclo[1.1.1]pentanyl]cycloundecanecarboxamide?
The InChIKey is GGLKPSBQOABFBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H52N2O3/c33-27(21-35-26-19-15-11-7-3-4-8-12-16-20-26)31-29-22-30(23-29,24-29)32-28(34)25-17-13-9-5-1-2-6-10-14-18-25/h25-26H,1-24H2,(H,31,33)(H,32,34).
What are the key properties of N-[3-[(2-cycloundecyloxyacetyl)amino]-1-bicyclo[1.1.1]pentanyl]cycloundecanecarboxamide?
N-[3-[(2-cycloundecyloxyacetyl)amino]-1-bicyclo[1.1.1]pentanyl]cycloundecanecarboxamide has a molecular weight of 488.76 g/mol, XLogP of 6.72, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(2-cycloundecyloxyacetyl)amino]-1-bicyclo[1.1.1]pentanyl]cycloundecanecarboxamide is sourced from PubChem (CID 138626606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).