N-(cyclohexylmethyl)-2-(5-cyclohexyltetrazol-1-yl)acetamide

C16H27N5O — CID 75392435

IUPACN-(cyclohexylmethyl)-2-(5-cyclohexyltetrazol-1-yl)acetamide
SMILESO=C(Cn1nnnc1C1CCCCC1)NCC1CCCCC1
InChIInChI=1S/C16H27N5O/c22-15(17-11-13-7-3-1-4-8-13)12-21-16(18-19-20-21)14-9-5-2-6-10-14/h13-14H,1-12H2,(H,17,22)
InChIKeyNVBXKXODYWSYBR-UHFFFAOYSA-N
MW305.43 g/mol
LogP2.42
Rot. Bonds5

About N-(cyclohexylmethyl)-2-(5-cyclohexyltetrazol-1-yl)acetamide

N-(cyclohexylmethyl)-2-(5-cyclohexyltetrazol-1-yl)acetamide (PubChem CID 75392435) has the molecular formula C16H27N5O and a molecular weight of 305.43 g/mol. Its IUPAC name is N-(cyclohexylmethyl)-2-(5-cyclohexyltetrazol-1-yl)acetamide.

Molecular Properties

Compound NameN-(cyclohexylmethyl)-2-(5-cyclohexyltetrazol-1-yl)acetamide
PubChem CID75392435
Molecular FormulaC16H27N5O
Molecular Weight305.43 g/mol
Exact Mass305.22
IUPAC NameN-(cyclohexylmethyl)-2-(5-cyclohexyltetrazol-1-yl)acetamide
SMILESO=C(Cn1nnnc1C1CCCCC1)NCC1CCCCC1
InChIInChI=1S/C16H27N5O/c22-15(17-11-13-7-3-1-4-8-13)12-21-16(18-19-20-21)14-9-5-2-6-10-14/h13-14H,1-12H2,(H,17,22)
InChIKeyNVBXKXODYWSYBR-UHFFFAOYSA-N
XLogP2.42
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.43
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(cyclohexylmethyl)-2-(5-cyclohexyltetrazol-1-yl)acetamide?
The IUPAC name of N-(cyclohexylmethyl)-2-(5-cyclohexyltetrazol-1-yl)acetamide (CID 75392435) is N-(cyclohexylmethyl)-2-(5-cyclohexyltetrazol-1-yl)acetamide.
What is the SMILES notation for N-(cyclohexylmethyl)-2-(5-cyclohexyltetrazol-1-yl)acetamide?
The canonical SMILES for N-(cyclohexylmethyl)-2-(5-cyclohexyltetrazol-1-yl)acetamide is O=C(Cn1nnnc1C1CCCCC1)NCC1CCCCC1.
What is the InChIKey of N-(cyclohexylmethyl)-2-(5-cyclohexyltetrazol-1-yl)acetamide?
The InChIKey is NVBXKXODYWSYBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N5O/c22-15(17-11-13-7-3-1-4-8-13)12-21-16(18-19-20-21)14-9-5-2-6-10-14/h13-14H,1-12H2,(H,17,22).
What are the key properties of N-(cyclohexylmethyl)-2-(5-cyclohexyltetrazol-1-yl)acetamide?
N-(cyclohexylmethyl)-2-(5-cyclohexyltetrazol-1-yl)acetamide has a molecular weight of 305.43 g/mol, XLogP of 2.42, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclohexylmethyl)-2-(5-cyclohexyltetrazol-1-yl)acetamide is sourced from PubChem (CID 75392435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).