7-(4-acetyl-2-ethyl-5-hydroxyphenoxy)-N-(2H-tetrazol-5-yl)heptanamide

C18H25N5O4 — CID 14820127

IUPAC7-(4-acetyl-2-ethyl-5-hydroxyphenoxy)-N-(2H-tetrazol-5-yl)heptanamide
SMILESCCc1cc(C(C)=O)c(O)cc1OCCCCCCC(=O)Nc1nn[nH]n1
InChIInChI=1S/C18H25N5O4/c1-3-13-10-14(12(2)24)15(25)11-16(13)27-9-7-5-4-6-8-17(26)19-18-20-22-23-21-18/h10-11,25H,3-9H2,1-2H3,(H2,19,20,21,22,23,26)
InChIKeyTYKMSMNNNUGHCI-UHFFFAOYSA-N
MW375.43 g/mol
LogP2.64
Rot. Bonds11

About 7-(4-acetyl-2-ethyl-5-hydroxyphenoxy)-N-(2H-tetrazol-5-yl)heptanamide

7-(4-acetyl-2-ethyl-5-hydroxyphenoxy)-N-(2H-tetrazol-5-yl)heptanamide (PubChem CID 14820127) has the molecular formula C18H25N5O4 and a molecular weight of 375.43 g/mol. Its IUPAC name is 7-(4-acetyl-2-ethyl-5-hydroxyphenoxy)-N-(2H-tetrazol-5-yl)heptanamide.

Molecular Properties

Compound Name7-(4-acetyl-2-ethyl-5-hydroxyphenoxy)-N-(2H-tetrazol-5-yl)heptanamide
PubChem CID14820127
Molecular FormulaC18H25N5O4
Molecular Weight375.43 g/mol
Exact Mass375.19
IUPAC Name7-(4-acetyl-2-ethyl-5-hydroxyphenoxy)-N-(2H-tetrazol-5-yl)heptanamide
SMILESCCc1cc(C(C)=O)c(O)cc1OCCCCCCC(=O)Nc1nn[nH]n1
InChIInChI=1S/C18H25N5O4/c1-3-13-10-14(12(2)24)15(25)11-16(13)27-9-7-5-4-6-8-17(26)19-18-20-22-23-21-18/h10-11,25H,3-9H2,1-2H3,(H2,19,20,21,22,23,26)
InChIKeyTYKMSMNNNUGHCI-UHFFFAOYSA-N
XLogP2.64
TPSA130.09 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds11
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.43
LogP ≤ 52.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 7-(4-acetyl-2-ethyl-5-hydroxyphenoxy)-N-(2H-tetrazol-5-yl)heptanamide?
The IUPAC name of 7-(4-acetyl-2-ethyl-5-hydroxyphenoxy)-N-(2H-tetrazol-5-yl)heptanamide (CID 14820127) is 7-(4-acetyl-2-ethyl-5-hydroxyphenoxy)-N-(2H-tetrazol-5-yl)heptanamide.
What is the SMILES notation for 7-(4-acetyl-2-ethyl-5-hydroxyphenoxy)-N-(2H-tetrazol-5-yl)heptanamide?
The canonical SMILES for 7-(4-acetyl-2-ethyl-5-hydroxyphenoxy)-N-(2H-tetrazol-5-yl)heptanamide is CCc1cc(C(C)=O)c(O)cc1OCCCCCCC(=O)Nc1nn[nH]n1.
What is the InChIKey of 7-(4-acetyl-2-ethyl-5-hydroxyphenoxy)-N-(2H-tetrazol-5-yl)heptanamide?
The InChIKey is TYKMSMNNNUGHCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N5O4/c1-3-13-10-14(12(2)24)15(25)11-16(13)27-9-7-5-4-6-8-17(26)19-18-20-22-23-21-18/h10-11,25H,3-9H2,1-2H3,(H2,19,20,21,22,23,26).
What are the key properties of 7-(4-acetyl-2-ethyl-5-hydroxyphenoxy)-N-(2H-tetrazol-5-yl)heptanamide?
7-(4-acetyl-2-ethyl-5-hydroxyphenoxy)-N-(2H-tetrazol-5-yl)heptanamide has a molecular weight of 375.43 g/mol, XLogP of 2.64, 11 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(4-acetyl-2-ethyl-5-hydroxyphenoxy)-N-(2H-tetrazol-5-yl)heptanamide is sourced from PubChem (CID 14820127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).