N,N-diethyl-4-[1-(4-hydroxycyclohexyl)tetrazol-5-yl]butanamide

C15H27N5O2 — CID 21295414

IUPACN,N-diethyl-4-[1-(4-hydroxycyclohexyl)tetrazol-5-yl]butanamide
SMILESCCN(CC)C(=O)CCCc1nnnn1C1CCC(O)CC1
InChIInChI=1S/C15H27N5O2/c1-3-19(4-2)15(22)7-5-6-14-16-17-18-20(14)12-8-10-13(21)11-9-12/h12-13,21H,3-11H2,1-2H3
InChIKeyLTPASWGGQBIFCQ-UHFFFAOYSA-N
MW309.41 g/mol
LogP1.34
Rot. Bonds7

About N,N-diethyl-4-[1-(4-hydroxycyclohexyl)tetrazol-5-yl]butanamide

N,N-diethyl-4-[1-(4-hydroxycyclohexyl)tetrazol-5-yl]butanamide (PubChem CID 21295414) has the molecular formula C15H27N5O2 and a molecular weight of 309.41 g/mol. Its IUPAC name is N,N-diethyl-4-[1-(4-hydroxycyclohexyl)tetrazol-5-yl]butanamide.

Molecular Properties

Compound NameN,N-diethyl-4-[1-(4-hydroxycyclohexyl)tetrazol-5-yl]butanamide
PubChem CID21295414
Molecular FormulaC15H27N5O2
Molecular Weight309.41 g/mol
Exact Mass309.22
IUPAC NameN,N-diethyl-4-[1-(4-hydroxycyclohexyl)tetrazol-5-yl]butanamide
SMILESCCN(CC)C(=O)CCCc1nnnn1C1CCC(O)CC1
InChIInChI=1S/C15H27N5O2/c1-3-19(4-2)15(22)7-5-6-14-16-17-18-20(14)12-8-10-13(21)11-9-12/h12-13,21H,3-11H2,1-2H3
InChIKeyLTPASWGGQBIFCQ-UHFFFAOYSA-N
XLogP1.34
TPSA84.14 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.41
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-4-[1-(4-hydroxycyclohexyl)tetrazol-5-yl]butanamide?
The IUPAC name of N,N-diethyl-4-[1-(4-hydroxycyclohexyl)tetrazol-5-yl]butanamide (CID 21295414) is N,N-diethyl-4-[1-(4-hydroxycyclohexyl)tetrazol-5-yl]butanamide.
What is the SMILES notation for N,N-diethyl-4-[1-(4-hydroxycyclohexyl)tetrazol-5-yl]butanamide?
The canonical SMILES for N,N-diethyl-4-[1-(4-hydroxycyclohexyl)tetrazol-5-yl]butanamide is CCN(CC)C(=O)CCCc1nnnn1C1CCC(O)CC1.
What is the InChIKey of N,N-diethyl-4-[1-(4-hydroxycyclohexyl)tetrazol-5-yl]butanamide?
The InChIKey is LTPASWGGQBIFCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N5O2/c1-3-19(4-2)15(22)7-5-6-14-16-17-18-20(14)12-8-10-13(21)11-9-12/h12-13,21H,3-11H2,1-2H3.
What are the key properties of N,N-diethyl-4-[1-(4-hydroxycyclohexyl)tetrazol-5-yl]butanamide?
N,N-diethyl-4-[1-(4-hydroxycyclohexyl)tetrazol-5-yl]butanamide has a molecular weight of 309.41 g/mol, XLogP of 1.34, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-4-[1-(4-hydroxycyclohexyl)tetrazol-5-yl]butanamide is sourced from PubChem (CID 21295414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).