N-cyclohexyl-N-ethyl-4-[1-(4-hydroxycyclohexyl)tetrazol-5-yl]butanamide

C19H33N5O2 — CID 21295427

IUPACN-cyclohexyl-N-ethyl-4-[1-(4-hydroxycyclohexyl)tetrazol-5-yl]butanamide
SMILESCCN(C(=O)CCCc1nnnn1C1CCC(O)CC1)C1CCCCC1
InChIInChI=1S/C19H33N5O2/c1-2-23(15-7-4-3-5-8-15)19(26)10-6-9-18-20-21-22-24(18)16-11-13-17(25)14-12-16/h15-17,25H,2-14H2,1H3
InChIKeyPHSSQCJOADTGFO-UHFFFAOYSA-N
MW363.51 g/mol
LogP2.65
Rot. Bonds7

About N-cyclohexyl-N-ethyl-4-[1-(4-hydroxycyclohexyl)tetrazol-5-yl]butanamide

N-cyclohexyl-N-ethyl-4-[1-(4-hydroxycyclohexyl)tetrazol-5-yl]butanamide (PubChem CID 21295427) has the molecular formula C19H33N5O2 and a molecular weight of 363.51 g/mol. Its IUPAC name is N-cyclohexyl-N-ethyl-4-[1-(4-hydroxycyclohexyl)tetrazol-5-yl]butanamide.

Molecular Properties

Compound NameN-cyclohexyl-N-ethyl-4-[1-(4-hydroxycyclohexyl)tetrazol-5-yl]butanamide
PubChem CID21295427
Molecular FormulaC19H33N5O2
Molecular Weight363.51 g/mol
Exact Mass363.26
IUPAC NameN-cyclohexyl-N-ethyl-4-[1-(4-hydroxycyclohexyl)tetrazol-5-yl]butanamide
SMILESCCN(C(=O)CCCc1nnnn1C1CCC(O)CC1)C1CCCCC1
InChIInChI=1S/C19H33N5O2/c1-2-23(15-7-4-3-5-8-15)19(26)10-6-9-18-20-21-22-24(18)16-11-13-17(25)14-12-16/h15-17,25H,2-14H2,1H3
InChIKeyPHSSQCJOADTGFO-UHFFFAOYSA-N
XLogP2.65
TPSA84.14 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.51
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-N-ethyl-4-[1-(4-hydroxycyclohexyl)tetrazol-5-yl]butanamide?
The IUPAC name of N-cyclohexyl-N-ethyl-4-[1-(4-hydroxycyclohexyl)tetrazol-5-yl]butanamide (CID 21295427) is N-cyclohexyl-N-ethyl-4-[1-(4-hydroxycyclohexyl)tetrazol-5-yl]butanamide.
What is the SMILES notation for N-cyclohexyl-N-ethyl-4-[1-(4-hydroxycyclohexyl)tetrazol-5-yl]butanamide?
The canonical SMILES for N-cyclohexyl-N-ethyl-4-[1-(4-hydroxycyclohexyl)tetrazol-5-yl]butanamide is CCN(C(=O)CCCc1nnnn1C1CCC(O)CC1)C1CCCCC1.
What is the InChIKey of N-cyclohexyl-N-ethyl-4-[1-(4-hydroxycyclohexyl)tetrazol-5-yl]butanamide?
The InChIKey is PHSSQCJOADTGFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H33N5O2/c1-2-23(15-7-4-3-5-8-15)19(26)10-6-9-18-20-21-22-24(18)16-11-13-17(25)14-12-16/h15-17,25H,2-14H2,1H3.
What are the key properties of N-cyclohexyl-N-ethyl-4-[1-(4-hydroxycyclohexyl)tetrazol-5-yl]butanamide?
N-cyclohexyl-N-ethyl-4-[1-(4-hydroxycyclohexyl)tetrazol-5-yl]butanamide has a molecular weight of 363.51 g/mol, XLogP of 2.65, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-N-ethyl-4-[1-(4-hydroxycyclohexyl)tetrazol-5-yl]butanamide is sourced from PubChem (CID 21295427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).