CID 155348995

C18H31NO4 — CID 155348995

IUPAC—
SMILESCC1CC2CC(C2)CC(C)C12OOC1(CCC(CN)CC1)OO2
InChIInChI=1S/C18H31NO4/c1-12-7-15-9-16(10-15)8-13(2)18(12)22-20-17(21-23-18)5-3-14(11-19)4-6-17/h12-16H,3-11,19H2,1-2H3
InChIKeyCMVCPVPEUOTLPL-UHFFFAOYSA-N
MW325.45 g/mol
LogP3.53
Rot. Bonds1

About CID 155348995

CID 155348995 (PubChem CID 155348995) has the molecular formula C18H31NO4 and a molecular weight of 325.45 g/mol.

Molecular Properties

Compound NameCID 155348995
PubChem CID155348995
Molecular FormulaC18H31NO4
Molecular Weight325.45 g/mol
Exact Mass325.23
IUPAC Name—
SMILESCC1CC2CC(C2)CC(C)C12OOC1(CCC(CN)CC1)OO2
InChIInChI=1S/C18H31NO4/c1-12-7-15-9-16(10-15)8-13(2)18(12)22-20-17(21-23-18)5-3-14(11-19)4-6-17/h12-16H,3-11,19H2,1-2H3
InChIKeyCMVCPVPEUOTLPL-UHFFFAOYSA-N
XLogP3.53
TPSA62.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.45
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'peroxide', 'substructure': 'N/A'}

Analyze CID 155348995 with MolForge

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

Launch Full Analysis

Related Compounds

7,8,15,16-tetraoxadispiro[5.2.59.26]hexadecan-12-ylmethanamine
CID 24828451
CID 143649805
CID 143649805
CID 155349004
CID 155349004
CID 10335382
CID 10335382
CID 20801746
CID 20801746
[(1R,3R)-4,4-difluoro-3-methylcyclohexyl]methanamine
CID 125470811
[(1S,3R)-4,4-difluoro-3-methylcyclohexyl]methanamine
CID 125470812
1,2-dioxaspiro[2.5]octan-6-ylmethanol
CID 141153592
[4-(aminomethyl)-4-methylcyclohexyl]methanamine
CID 123492077
CID 24990370
CID 24990370
CID 10044322
CID 10044322
1-(4-Aminopiperidin-1-YL)-2-((1R,3R,4''S,5R,5'S,7R)-dispiro[adamantane-2,3'-[1,2,4]trioxolane-5',1''-cyclohexan]-4''-YL)ethan-1-one
CID 11757883

Frequently Asked Questions

What is the IUPAC name of CID 155348995?
The IUPAC name of CID 155348995 (CID 155348995) is not available.
What is the SMILES notation for CID 155348995?
The canonical SMILES for CID 155348995 is CC1CC2CC(C2)CC(C)C12OOC1(CCC(CN)CC1)OO2.
What is the InChIKey of CID 155348995?
The InChIKey is CMVCPVPEUOTLPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31NO4/c1-12-7-15-9-16(10-15)8-13(2)18(12)22-20-17(21-23-18)5-3-14(11-19)4-6-17/h12-16H,3-11,19H2,1-2H3.
What are the key properties of CID 155348995?
CID 155348995 has a molecular weight of 325.45 g/mol, XLogP of 3.53, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for CID 155348995 is sourced from PubChem (CID 155348995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).