N-[1-[1-(4-methoxyphenyl)tetrazol-5-yl]cyclohexyl]acetamide

C16H21N5O2 — CID 30310198

IUPACN-[1-[1-(4-methoxyphenyl)tetrazol-5-yl]cyclohexyl]acetamide
SMILESCOc1ccc(-n2nnnc2C2(NC(C)=O)CCCCC2)cc1
InChIInChI=1S/C16H21N5O2/c1-12(22)17-16(10-4-3-5-11-16)15-18-19-20-21(15)13-6-8-14(23-2)9-7-13/h6-9H,3-5,10-11H2,1-2H3,(H,17,22)
InChIKeyWDAJFRNNRLMPCZ-UHFFFAOYSA-N
MW315.38 g/mol
LogP1.97
Rot. Bonds4

About N-[1-[1-(4-methoxyphenyl)tetrazol-5-yl]cyclohexyl]acetamide

N-[1-[1-(4-methoxyphenyl)tetrazol-5-yl]cyclohexyl]acetamide (PubChem CID 30310198) has the molecular formula C16H21N5O2 and a molecular weight of 315.38 g/mol. Its IUPAC name is N-[1-[1-(4-methoxyphenyl)tetrazol-5-yl]cyclohexyl]acetamide.

Molecular Properties

Compound NameN-[1-[1-(4-methoxyphenyl)tetrazol-5-yl]cyclohexyl]acetamide
PubChem CID30310198
Molecular FormulaC16H21N5O2
Molecular Weight315.38 g/mol
Exact Mass315.17
IUPAC NameN-[1-[1-(4-methoxyphenyl)tetrazol-5-yl]cyclohexyl]acetamide
SMILESCOc1ccc(-n2nnnc2C2(NC(C)=O)CCCCC2)cc1
InChIInChI=1S/C16H21N5O2/c1-12(22)17-16(10-4-3-5-11-16)15-18-19-20-21(15)13-6-8-14(23-2)9-7-13/h6-9H,3-5,10-11H2,1-2H3,(H,17,22)
InChIKeyWDAJFRNNRLMPCZ-UHFFFAOYSA-N
XLogP1.97
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.38
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[1-[1-(4-methoxyphenyl)tetrazol-5-yl]cyclohexyl]acetamide?
The IUPAC name of N-[1-[1-(4-methoxyphenyl)tetrazol-5-yl]cyclohexyl]acetamide (CID 30310198) is N-[1-[1-(4-methoxyphenyl)tetrazol-5-yl]cyclohexyl]acetamide.
What is the SMILES notation for N-[1-[1-(4-methoxyphenyl)tetrazol-5-yl]cyclohexyl]acetamide?
The canonical SMILES for N-[1-[1-(4-methoxyphenyl)tetrazol-5-yl]cyclohexyl]acetamide is COc1ccc(-n2nnnc2C2(NC(C)=O)CCCCC2)cc1.
What is the InChIKey of N-[1-[1-(4-methoxyphenyl)tetrazol-5-yl]cyclohexyl]acetamide?
The InChIKey is WDAJFRNNRLMPCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N5O2/c1-12(22)17-16(10-4-3-5-11-16)15-18-19-20-21(15)13-6-8-14(23-2)9-7-13/h6-9H,3-5,10-11H2,1-2H3,(H,17,22).
What are the key properties of N-[1-[1-(4-methoxyphenyl)tetrazol-5-yl]cyclohexyl]acetamide?
N-[1-[1-(4-methoxyphenyl)tetrazol-5-yl]cyclohexyl]acetamide has a molecular weight of 315.38 g/mol, XLogP of 1.97, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[1-(4-methoxyphenyl)tetrazol-5-yl]cyclohexyl]acetamide is sourced from PubChem (CID 30310198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).