N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[5-(4-morpholin-4-ylphenyl)tetrazol-2-yl]acetamide

C23H28N6O4 — CID 646240

IUPACN-[2-(3,4-dimethoxyphenyl)ethyl]-2-[5-(4-morpholin-4-ylphenyl)tetrazol-2-yl]acetamide
SMILESCOc1ccc(CCNC(=O)Cn2nnc(-c3ccc(N4CCOCC4)cc3)n2)cc1OC
InChIInChI=1S/C23H28N6O4/c1-31-20-8-3-17(15-21(20)32-2)9-10-24-22(30)16-29-26-23(25-27-29)18-4-6-19(7-5-18)28-11-13-33-14-12-28/h3-8,15H,9-14,16H2,1-2H3,(H,24,30)
InChIKeyIEWIIDUOXMKUBM-UHFFFAOYSA-N
MW452.52 g/mol
LogP1.55
Rot. Bonds9

About N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[5-(4-morpholin-4-ylphenyl)tetrazol-2-yl]acetamide

N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[5-(4-morpholin-4-ylphenyl)tetrazol-2-yl]acetamide (PubChem CID 646240) has the molecular formula C23H28N6O4 and a molecular weight of 452.52 g/mol. Its IUPAC name is N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[5-(4-morpholin-4-ylphenyl)tetrazol-2-yl]acetamide.

Molecular Properties

Compound NameN-[2-(3,4-dimethoxyphenyl)ethyl]-2-[5-(4-morpholin-4-ylphenyl)tetrazol-2-yl]acetamide
PubChem CID646240
Molecular FormulaC23H28N6O4
Molecular Weight452.52 g/mol
Exact Mass452.22
IUPAC NameN-[2-(3,4-dimethoxyphenyl)ethyl]-2-[5-(4-morpholin-4-ylphenyl)tetrazol-2-yl]acetamide
SMILESCOc1ccc(CCNC(=O)Cn2nnc(-c3ccc(N4CCOCC4)cc3)n2)cc1OC
InChIInChI=1S/C23H28N6O4/c1-31-20-8-3-17(15-21(20)32-2)9-10-24-22(30)16-29-26-23(25-27-29)18-4-6-19(7-5-18)28-11-13-33-14-12-28/h3-8,15H,9-14,16H2,1-2H3,(H,24,30)
InChIKeyIEWIIDUOXMKUBM-UHFFFAOYSA-N
XLogP1.55
TPSA103.63 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.52
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Related Compounds

N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-[3-(2H-tetrazol-5-yl)phenyl]propanamide
CID 49872586
N-[4-(diethylamino)-2-methylphenyl]-2-[5-(2,3-dimethoxyphenyl)tetrazol-2-yl]acetamide
CID 648837
2-[5-(3,4-Diethoxy-phenyl)-tetrazol-2-yl]-N-(2-ethoxy-phenyl)-acetamide
CID 649643
2-[5-(3,4-Diethoxy-phenyl)-tetrazol-2-yl]-N-(2,5-dimethoxy-phenyl)-acetamide
CID 652799
2-[5-(3,4-Diethoxy-phenyl)-tetrazol-2-yl]-N-(2-methoxy-phenyl)-acetamide
CID 652916
2-[5-(2,3-Dimethoxy-phenyl)-tetrazol-2-yl]-N-(2,4-dimethyl-phenyl)-acetamide
CID 652944
2-[5-(3,4-Diethoxy-phenyl)-tetrazol-2-yl]-1-[4-(4-methoxy-phenyl)-piperazin-1-yl]-ethanone
CID 653769
2-[5-(3,4-Dimethoxy-phenyl)-tetrazol-2-yl]-N-[(3-methyl-butylcarbamoyl)-methyl]-N-phenyl-acetamide
CID 655633
N-[2-(3,4-Dimethoxy-phenyl)-ethyl]-2-[5-(4-dimethylamino-phenyl)-tetrazol-2-yl]-acetamide
CID 1373930
1-[4-(4-Fluorophenyl)piperazin-1-yl]-2-[5-(4-methoxyphenyl)tetrazol-2-yl]ethanone
CID 1373946
Cyclohexanecarboxylic acid (4-{2-[(4-methoxy-benzylcarbamoyl)-methyl]-2H-tetrazol-5-yl}-phenyl)-amide
CID 1452551
N-[2-(cyclopentylamino)-2-oxoethyl]-2-[5-(3,4-dimethoxyphenyl)tetrazol-2-yl]-N-phenylacetamide
CID 3179735

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[5-(4-morpholin-4-ylphenyl)tetrazol-2-yl]acetamide?
The IUPAC name of N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[5-(4-morpholin-4-ylphenyl)tetrazol-2-yl]acetamide (CID 646240) is N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[5-(4-morpholin-4-ylphenyl)tetrazol-2-yl]acetamide.
What is the SMILES notation for N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[5-(4-morpholin-4-ylphenyl)tetrazol-2-yl]acetamide?
The canonical SMILES for N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[5-(4-morpholin-4-ylphenyl)tetrazol-2-yl]acetamide is COc1ccc(CCNC(=O)Cn2nnc(-c3ccc(N4CCOCC4)cc3)n2)cc1OC.
What is the InChIKey of N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[5-(4-morpholin-4-ylphenyl)tetrazol-2-yl]acetamide?
The InChIKey is IEWIIDUOXMKUBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N6O4/c1-31-20-8-3-17(15-21(20)32-2)9-10-24-22(30)16-29-26-23(25-27-29)18-4-6-19(7-5-18)28-11-13-33-14-12-28/h3-8,15H,9-14,16H2,1-2H3,(H,24,30).
What are the key properties of N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[5-(4-morpholin-4-ylphenyl)tetrazol-2-yl]acetamide?
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[5-(4-morpholin-4-ylphenyl)tetrazol-2-yl]acetamide has a molecular weight of 452.52 g/mol, XLogP of 1.55, 9 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[5-(4-morpholin-4-ylphenyl)tetrazol-2-yl]acetamide is sourced from PubChem (CID 646240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).