13-(3,5-dimethylphenyl)-1,4,7,10-tetraoxa-13-azacyclopentadecane

C18H29NO4 — CID 10519968

IUPAC13-(3,5-dimethylphenyl)-1,4,7,10-tetraoxa-13-azacyclopentadecane
SMILESCc1cc(C)cc(N2CCOCCOCCOCCOCC2)c1
InChIInChI=1S/C18H29NO4/c1-16-13-17(2)15-18(14-16)19-3-5-20-7-9-22-11-12-23-10-8-21-6-4-19/h13-15H,3-12H2,1-2H3
InChIKeyIELGKXKSXZDOLM-UHFFFAOYSA-N
MW323.43 g/mol
LogP2.19
Rot. Bonds1

About 13-(3,5-dimethylphenyl)-1,4,7,10-tetraoxa-13-azacyclopentadecane

13-(3,5-dimethylphenyl)-1,4,7,10-tetraoxa-13-azacyclopentadecane (PubChem CID 10519968) has the molecular formula C18H29NO4 and a molecular weight of 323.43 g/mol. Its IUPAC name is 13-(3,5-dimethylphenyl)-1,4,7,10-tetraoxa-13-azacyclopentadecane.

Molecular Properties

Compound Name13-(3,5-dimethylphenyl)-1,4,7,10-tetraoxa-13-azacyclopentadecane
PubChem CID10519968
Molecular FormulaC18H29NO4
Molecular Weight323.43 g/mol
Exact Mass323.21
IUPAC Name13-(3,5-dimethylphenyl)-1,4,7,10-tetraoxa-13-azacyclopentadecane
SMILESCc1cc(C)cc(N2CCOCCOCCOCCOCC2)c1
InChIInChI=1S/C18H29NO4/c1-16-13-17(2)15-18(14-16)19-3-5-20-7-9-22-11-12-23-10-8-21-6-4-19/h13-15H,3-12H2,1-2H3
InChIKeyIELGKXKSXZDOLM-UHFFFAOYSA-N
XLogP2.19
TPSA40.16 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.43
LogP ≤ 52.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

16-(4-methylphenyl)-1,4,7,10,13-pentaoxa-16-azacyclooctadecane
CID 71419396
4-(3-methyl-5-morpholin-4-ylphenyl)morpholin-3-one
CID 59817776
N-methyl-5-(3-methyl-5-morpholin-4-ylphenyl)pyrimidin-2-amine
CID 170120856
5-morpholin-4-ylbenzene-1,3-diol
CID 58923367
4-(3,5-dimethylphenyl)piperazine-1-carbaldehyde
CID 142695592
13-[4-[4-(1,4,7,10-tetraoxa-13-azacyclopentadec-13-yl)phenyl]phenyl]-1,4,7,10-tetraoxa-13-azacyclopentadecane
CID 102533214
(3-methyl-5-morpholin-4-ylphenyl) N-tert-butylcarbamate
CID 174939307
ethane;(4-methylphenyl)-[4-[(4-morpholin-4-ylphenyl)diazenyl]phenyl]diazene
CID 157373423
3-amino-5-morpholin-4-ylphenol
CID 155639936
2,3-dimethyl-5-morpholin-4-ylbenzoic acid
CID 79694761
1,1'-biphenyl;ethane;4-phenylmorpholine;toluene
CID 158356993
4-(4-pyrrolidin-1-ylphenyl)morpholine
CID 67305085

Frequently Asked Questions

What is the IUPAC name of 13-(3,5-dimethylphenyl)-1,4,7,10-tetraoxa-13-azacyclopentadecane?
The IUPAC name of 13-(3,5-dimethylphenyl)-1,4,7,10-tetraoxa-13-azacyclopentadecane (CID 10519968) is 13-(3,5-dimethylphenyl)-1,4,7,10-tetraoxa-13-azacyclopentadecane.
What is the SMILES notation for 13-(3,5-dimethylphenyl)-1,4,7,10-tetraoxa-13-azacyclopentadecane?
The canonical SMILES for 13-(3,5-dimethylphenyl)-1,4,7,10-tetraoxa-13-azacyclopentadecane is Cc1cc(C)cc(N2CCOCCOCCOCCOCC2)c1.
What is the InChIKey of 13-(3,5-dimethylphenyl)-1,4,7,10-tetraoxa-13-azacyclopentadecane?
The InChIKey is IELGKXKSXZDOLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29NO4/c1-16-13-17(2)15-18(14-16)19-3-5-20-7-9-22-11-12-23-10-8-21-6-4-19/h13-15H,3-12H2,1-2H3.
What are the key properties of 13-(3,5-dimethylphenyl)-1,4,7,10-tetraoxa-13-azacyclopentadecane?
13-(3,5-dimethylphenyl)-1,4,7,10-tetraoxa-13-azacyclopentadecane has a molecular weight of 323.43 g/mol, XLogP of 2.19, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 13-(3,5-dimethylphenyl)-1,4,7,10-tetraoxa-13-azacyclopentadecane is sourced from PubChem (CID 10519968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).