N-cyclohexyl-N-(2,2-dimethoxyethyl)-3-[2-[3-(1-methyl-2,3-dihydrotetrazol-5-yl)phenyl]ethoxy]propanamide

C23H37N5O4 — CID 89121016

IUPACN-cyclohexyl-N-(2,2-dimethoxyethyl)-3-[2-[3-(1-methyl-2,3-dihydrotetrazol-5-yl)phenyl]ethoxy]propanamide
SMILESCOC(CN(C(=O)CCOCCc1cccc(C2=NNNN2C)c1)C1CCCCC1)OC
InChIInChI=1S/C23H37N5O4/c1-27-23(24-25-26-27)19-9-7-8-18(16-19)12-14-32-15-13-21(29)28(17-22(30-2)31-3)20-10-5-4-6-11-20/h7-9,16,20,22,25-26H,4-6,10-15,17H2,1-3H3
InChIKeyAICSRGJJMJFFON-UHFFFAOYSA-N
MW447.58 g/mol
LogP2.03
Rot. Bonds12

About N-cyclohexyl-N-(2,2-dimethoxyethyl)-3-[2-[3-(1-methyl-2,3-dihydrotetrazol-5-yl)phenyl]ethoxy]propanamide

N-cyclohexyl-N-(2,2-dimethoxyethyl)-3-[2-[3-(1-methyl-2,3-dihydrotetrazol-5-yl)phenyl]ethoxy]propanamide (PubChem CID 89121016) has the molecular formula C23H37N5O4 and a molecular weight of 447.58 g/mol. Its IUPAC name is N-cyclohexyl-N-(2,2-dimethoxyethyl)-3-[2-[3-(1-methyl-2,3-dihydrotetrazol-5-yl)phenyl]ethoxy]propanamide.

Molecular Properties

Compound NameN-cyclohexyl-N-(2,2-dimethoxyethyl)-3-[2-[3-(1-methyl-2,3-dihydrotetrazol-5-yl)phenyl]ethoxy]propanamide
PubChem CID89121016
Molecular FormulaC23H37N5O4
Molecular Weight447.58 g/mol
Exact Mass447.28
IUPAC NameN-cyclohexyl-N-(2,2-dimethoxyethyl)-3-[2-[3-(1-methyl-2,3-dihydrotetrazol-5-yl)phenyl]ethoxy]propanamide
SMILESCOC(CN(C(=O)CCOCCc1cccc(C2=NNNN2C)c1)C1CCCCC1)OC
InChIInChI=1S/C23H37N5O4/c1-27-23(24-25-26-27)19-9-7-8-18(16-19)12-14-32-15-13-21(29)28(17-22(30-2)31-3)20-10-5-4-6-11-20/h7-9,16,20,22,25-26H,4-6,10-15,17H2,1-3H3
InChIKeyAICSRGJJMJFFON-UHFFFAOYSA-N
XLogP2.03
TPSA87.66 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds12
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.58
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-N-(2,2-dimethoxyethyl)-3-[2-[3-(1-methyl-2,3-dihydrotetrazol-5-yl)phenyl]ethoxy]propanamide?
The IUPAC name of N-cyclohexyl-N-(2,2-dimethoxyethyl)-3-[2-[3-(1-methyl-2,3-dihydrotetrazol-5-yl)phenyl]ethoxy]propanamide (CID 89121016) is N-cyclohexyl-N-(2,2-dimethoxyethyl)-3-[2-[3-(1-methyl-2,3-dihydrotetrazol-5-yl)phenyl]ethoxy]propanamide.
What is the SMILES notation for N-cyclohexyl-N-(2,2-dimethoxyethyl)-3-[2-[3-(1-methyl-2,3-dihydrotetrazol-5-yl)phenyl]ethoxy]propanamide?
The canonical SMILES for N-cyclohexyl-N-(2,2-dimethoxyethyl)-3-[2-[3-(1-methyl-2,3-dihydrotetrazol-5-yl)phenyl]ethoxy]propanamide is COC(CN(C(=O)CCOCCc1cccc(C2=NNNN2C)c1)C1CCCCC1)OC.
What is the InChIKey of N-cyclohexyl-N-(2,2-dimethoxyethyl)-3-[2-[3-(1-methyl-2,3-dihydrotetrazol-5-yl)phenyl]ethoxy]propanamide?
The InChIKey is AICSRGJJMJFFON-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H37N5O4/c1-27-23(24-25-26-27)19-9-7-8-18(16-19)12-14-32-15-13-21(29)28(17-22(30-2)31-3)20-10-5-4-6-11-20/h7-9,16,20,22,25-26H,4-6,10-15,17H2,1-3H3.
What are the key properties of N-cyclohexyl-N-(2,2-dimethoxyethyl)-3-[2-[3-(1-methyl-2,3-dihydrotetrazol-5-yl)phenyl]ethoxy]propanamide?
N-cyclohexyl-N-(2,2-dimethoxyethyl)-3-[2-[3-(1-methyl-2,3-dihydrotetrazol-5-yl)phenyl]ethoxy]propanamide has a molecular weight of 447.58 g/mol, XLogP of 2.03, 12 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-N-(2,2-dimethoxyethyl)-3-[2-[3-(1-methyl-2,3-dihydrotetrazol-5-yl)phenyl]ethoxy]propanamide is sourced from PubChem (CID 89121016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).