N-propan-2-yl-2-[1-(tetrazol-1-ylmethyl)cyclohexyl]acetamide

C13H23N5O — CID 45492916

IUPACN-propan-2-yl-2-[1-(tetrazol-1-ylmethyl)cyclohexyl]acetamide
SMILESCC(C)NC(=O)CC1(Cn2cnnn2)CCCCC1
InChIInChI=1S/C13H23N5O/c1-11(2)15-12(19)8-13(6-4-3-5-7-13)9-18-10-14-16-17-18/h10-11H,3-9H2,1-2H3,(H,15,19)
InChIKeyUDLVTAACBNLZAR-UHFFFAOYSA-N
MW265.36 g/mol
LogP1.54
Rot. Bonds5

About N-propan-2-yl-2-[1-(tetrazol-1-ylmethyl)cyclohexyl]acetamide

N-propan-2-yl-2-[1-(tetrazol-1-ylmethyl)cyclohexyl]acetamide (PubChem CID 45492916) has the molecular formula C13H23N5O and a molecular weight of 265.36 g/mol. Its IUPAC name is N-propan-2-yl-2-[1-(tetrazol-1-ylmethyl)cyclohexyl]acetamide.

Molecular Properties

Compound NameN-propan-2-yl-2-[1-(tetrazol-1-ylmethyl)cyclohexyl]acetamide
PubChem CID45492916
Molecular FormulaC13H23N5O
Molecular Weight265.36 g/mol
Exact Mass265.19
IUPAC NameN-propan-2-yl-2-[1-(tetrazol-1-ylmethyl)cyclohexyl]acetamide
SMILESCC(C)NC(=O)CC1(Cn2cnnn2)CCCCC1
InChIInChI=1S/C13H23N5O/c1-11(2)15-12(19)8-13(6-4-3-5-7-13)9-18-10-14-16-17-18/h10-11H,3-9H2,1-2H3,(H,15,19)
InChIKeyUDLVTAACBNLZAR-UHFFFAOYSA-N
XLogP1.54
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-methylpropyl)-2-[1-(1H-tetrazol-1-ylmethyl)cyclohexyl]acetamide
CID 45492212
N-[3-(propan-2-yloxy)propyl]-2-[1-(1H-tetrazol-1-ylmethyl)cyclohexyl]acetamide
CID 45495660
N-(2-sulfanylethyl)-2-[1-(tetrazol-1-ylmethyl)cyclohexyl]acetamide
CID 177679650
trans-N-pentyl-4-(1H-tetrazol-1-ylmethyl)cyclohexanecarboxamide
CID 49654807
N-cycloheptyl-4-(1H-tetrazol-1-ylmethyl)cyclohexanecarboxamide
CID 49656066
N-[(4-ethylcyclohexyl)methyl]-4-(1,2,4-triazol-1-yl)butanamide
CID 51094230
trans-N-(propan-2-yl)-4-(1H-tetrazol-1-ylmethyl)cyclohexanecarboxamide
CID 49655201
N-isobutyl-1-(1H-tetrazol-1-yl)cyclohexanecarboxamide
CID 45494045
N-cyclooctyl-4-(1H-tetrazol-1-ylmethyl)cyclohexanecarboxamide
CID 49654290
trans-N-cyclohexyl-4-(1H-tetrazol-1-ylmethyl)cyclohexanecarboxamide
CID 49655441
N-cyclopentyl-4-(1H-tetrazol-1-ylmethyl)cyclohexanecarboxamide
CID 49657327
2-methyl-N-[2-(tetrazol-1-yl)ethyl]nonanamide
CID 135200315

Frequently Asked Questions

What is the IUPAC name of N-propan-2-yl-2-[1-(tetrazol-1-ylmethyl)cyclohexyl]acetamide?
The IUPAC name of N-propan-2-yl-2-[1-(tetrazol-1-ylmethyl)cyclohexyl]acetamide (CID 45492916) is N-propan-2-yl-2-[1-(tetrazol-1-ylmethyl)cyclohexyl]acetamide.
What is the SMILES notation for N-propan-2-yl-2-[1-(tetrazol-1-ylmethyl)cyclohexyl]acetamide?
The canonical SMILES for N-propan-2-yl-2-[1-(tetrazol-1-ylmethyl)cyclohexyl]acetamide is CC(C)NC(=O)CC1(Cn2cnnn2)CCCCC1.
What is the InChIKey of N-propan-2-yl-2-[1-(tetrazol-1-ylmethyl)cyclohexyl]acetamide?
The InChIKey is UDLVTAACBNLZAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N5O/c1-11(2)15-12(19)8-13(6-4-3-5-7-13)9-18-10-14-16-17-18/h10-11H,3-9H2,1-2H3,(H,15,19).
What are the key properties of N-propan-2-yl-2-[1-(tetrazol-1-ylmethyl)cyclohexyl]acetamide?
N-propan-2-yl-2-[1-(tetrazol-1-ylmethyl)cyclohexyl]acetamide has a molecular weight of 265.36 g/mol, XLogP of 1.54, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-propan-2-yl-2-[1-(tetrazol-1-ylmethyl)cyclohexyl]acetamide is sourced from PubChem (CID 45492916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).