13-[(4-methoxyphenyl)methyl]-1,4,7,10-tetraoxa-13-azoniacyclopentadecane

C18H30NO5+ — CID 7065404

IUPAC13-[(4-methoxyphenyl)methyl]-1,4,7,10-tetraoxa-13-azoniacyclopentadecane
SMILESCOc1ccc(C[NH+]2CCOCCOCCOCCOCC2)cc1
InChIInChI=1S/C18H29NO5/c1-20-18-4-2-17(3-5-18)16-19-6-8-21-10-12-23-14-15-24-13-11-22-9-7-19/h2-5H,6-16H2,1H3/p+1
InChIKeyQUCYDRNZNXEMKG-UHFFFAOYSA-O
MW340.44 g/mol
LogP0.16
Rot. Bonds3

About 13-[(4-methoxyphenyl)methyl]-1,4,7,10-tetraoxa-13-azoniacyclopentadecane

13-[(4-methoxyphenyl)methyl]-1,4,7,10-tetraoxa-13-azoniacyclopentadecane (PubChem CID 7065404) has the molecular formula C18H30NO5+ and a molecular weight of 340.44 g/mol. Its IUPAC name is 13-[(4-methoxyphenyl)methyl]-1,4,7,10-tetraoxa-13-azoniacyclopentadecane.

Molecular Properties

Compound Name13-[(4-methoxyphenyl)methyl]-1,4,7,10-tetraoxa-13-azoniacyclopentadecane
PubChem CID7065404
Molecular FormulaC18H30NO5+
Molecular Weight340.44 g/mol
Exact Mass340.21
IUPAC Name13-[(4-methoxyphenyl)methyl]-1,4,7,10-tetraoxa-13-azoniacyclopentadecane
SMILESCOc1ccc(C[NH+]2CCOCCOCCOCCOCC2)cc1
InChIInChI=1S/C18H29NO5/c1-20-18-4-2-17(3-5-18)16-19-6-8-21-10-12-23-14-15-24-13-11-22-9-7-19/h2-5H,6-16H2,1H3/p+1
InChIKeyQUCYDRNZNXEMKG-UHFFFAOYSA-O
XLogP0.16
TPSA50.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.44
LogP ≤ 50.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 13-[(4-methoxyphenyl)methyl]-1,4,7,10-tetraoxa-13-azoniacyclopentadecane 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

4-[[4-(morpholin-4-ium-4-ylmethyl)phenyl]methyl]morpholin-4-ium
CID 6935973
4-[(4-ethoxyphenyl)methyl]morpholin-4-ium
CID 6942864
4-[(3,5-dimethoxyphenyl)methyl]morpholin-4-ium
CID 6942878
(4-methoxyphenyl)methyl-methyl-[2-[4-(morpholin-4-ium-4-ylmethyl)anilino]-2-oxoethyl]azanium
CID 8793434
1-(furan-2-ylmethyl)-4-[(4-methoxyphenyl)methyl]piperazine-1,4-diium
CID 4741925
4-(morpholin-4-ium-4-ylmethyl)phenol
CID 6943124
4-methoxy-2-[[4-(morpholin-4-ium-4-ylmethyl)phenyl]methyliminomethyl]phenol
CID 135818085
7-benzyl-16-methyl-1,4,10,13-tetraoxa-7,16-diazoniacyclooctadecane
CID 7064770
1-[(4-methoxyphenyl)methyl]-4-[(2,4,5-trimethoxyphenyl)methyl]piperazine-1,4-diium
CID 4755149
ethane;4-(4-methoxyphenyl)morpholin-4-ium
CID 143568777
1-[(3-fluorophenyl)methyl]-4-[(4-methoxyphenyl)methyl]piperazine-1,4-diium
CID 2162791
[(2S)-4-(4-methoxyphenyl)butan-2-yl]-(3-morpholin-4-ium-4-ylpropyl)azanium
CID 7014219

Frequently Asked Questions

What is the IUPAC name of 13-[(4-methoxyphenyl)methyl]-1,4,7,10-tetraoxa-13-azoniacyclopentadecane?
The IUPAC name of 13-[(4-methoxyphenyl)methyl]-1,4,7,10-tetraoxa-13-azoniacyclopentadecane (CID 7065404) is 13-[(4-methoxyphenyl)methyl]-1,4,7,10-tetraoxa-13-azoniacyclopentadecane.
What is the SMILES notation for 13-[(4-methoxyphenyl)methyl]-1,4,7,10-tetraoxa-13-azoniacyclopentadecane?
The canonical SMILES for 13-[(4-methoxyphenyl)methyl]-1,4,7,10-tetraoxa-13-azoniacyclopentadecane is COc1ccc(C[NH+]2CCOCCOCCOCCOCC2)cc1.
What is the InChIKey of 13-[(4-methoxyphenyl)methyl]-1,4,7,10-tetraoxa-13-azoniacyclopentadecane?
The InChIKey is QUCYDRNZNXEMKG-UHFFFAOYSA-O. The full InChI is InChI=1S/C18H29NO5/c1-20-18-4-2-17(3-5-18)16-19-6-8-21-10-12-23-14-15-24-13-11-22-9-7-19/h2-5H,6-16H2,1H3/p+1.
What are the key properties of 13-[(4-methoxyphenyl)methyl]-1,4,7,10-tetraoxa-13-azoniacyclopentadecane?
13-[(4-methoxyphenyl)methyl]-1,4,7,10-tetraoxa-13-azoniacyclopentadecane has a molecular weight of 340.44 g/mol, XLogP of 0.16, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 13-[(4-methoxyphenyl)methyl]-1,4,7,10-tetraoxa-13-azoniacyclopentadecane is sourced from PubChem (CID 7065404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).