N-(3-propan-2-yloxypropyl)-2-[1-(tetrazol-1-ylmethyl)cyclohexyl]acetamide

C16H29N5O2 — CID 45495660

IUPACN-(3-propan-2-yloxypropyl)-2-[1-(tetrazol-1-ylmethyl)cyclohexyl]acetamide
SMILESCC(C)OCCCNC(=O)CC1(Cn2cnnn2)CCCCC1
InChIInChI=1S/C16H29N5O2/c1-14(2)23-10-6-9-17-15(22)11-16(7-4-3-5-8-16)12-21-13-18-19-20-21/h13-14H,3-12H2,1-2H3,(H,17,22)
InChIKeyCSSSBRZGIFTBEW-UHFFFAOYSA-N
MW323.44 g/mol
LogP1.95
Rot. Bonds9

About N-(3-propan-2-yloxypropyl)-2-[1-(tetrazol-1-ylmethyl)cyclohexyl]acetamide

N-(3-propan-2-yloxypropyl)-2-[1-(tetrazol-1-ylmethyl)cyclohexyl]acetamide (PubChem CID 45495660) has the molecular formula C16H29N5O2 and a molecular weight of 323.44 g/mol. Its IUPAC name is N-(3-propan-2-yloxypropyl)-2-[1-(tetrazol-1-ylmethyl)cyclohexyl]acetamide.

Molecular Properties

Compound NameN-(3-propan-2-yloxypropyl)-2-[1-(tetrazol-1-ylmethyl)cyclohexyl]acetamide
PubChem CID45495660
Molecular FormulaC16H29N5O2
Molecular Weight323.44 g/mol
Exact Mass323.23
IUPAC NameN-(3-propan-2-yloxypropyl)-2-[1-(tetrazol-1-ylmethyl)cyclohexyl]acetamide
SMILESCC(C)OCCCNC(=O)CC1(Cn2cnnn2)CCCCC1
InChIInChI=1S/C16H29N5O2/c1-14(2)23-10-6-9-17-15(22)11-16(7-4-3-5-8-16)12-21-13-18-19-20-21/h13-14H,3-12H2,1-2H3,(H,17,22)
InChIKeyCSSSBRZGIFTBEW-UHFFFAOYSA-N
XLogP1.95
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.44
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(3-propan-2-yloxypropyl)-2-[1-(tetrazol-1-ylmethyl)cyclohexyl]acetamide?
The IUPAC name of N-(3-propan-2-yloxypropyl)-2-[1-(tetrazol-1-ylmethyl)cyclohexyl]acetamide (CID 45495660) is N-(3-propan-2-yloxypropyl)-2-[1-(tetrazol-1-ylmethyl)cyclohexyl]acetamide.
What is the SMILES notation for N-(3-propan-2-yloxypropyl)-2-[1-(tetrazol-1-ylmethyl)cyclohexyl]acetamide?
The canonical SMILES for N-(3-propan-2-yloxypropyl)-2-[1-(tetrazol-1-ylmethyl)cyclohexyl]acetamide is CC(C)OCCCNC(=O)CC1(Cn2cnnn2)CCCCC1.
What is the InChIKey of N-(3-propan-2-yloxypropyl)-2-[1-(tetrazol-1-ylmethyl)cyclohexyl]acetamide?
The InChIKey is CSSSBRZGIFTBEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N5O2/c1-14(2)23-10-6-9-17-15(22)11-16(7-4-3-5-8-16)12-21-13-18-19-20-21/h13-14H,3-12H2,1-2H3,(H,17,22).
What are the key properties of N-(3-propan-2-yloxypropyl)-2-[1-(tetrazol-1-ylmethyl)cyclohexyl]acetamide?
N-(3-propan-2-yloxypropyl)-2-[1-(tetrazol-1-ylmethyl)cyclohexyl]acetamide has a molecular weight of 323.44 g/mol, XLogP of 1.95, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-propan-2-yloxypropyl)-2-[1-(tetrazol-1-ylmethyl)cyclohexyl]acetamide is sourced from PubChem (CID 45495660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).