N-[4-(diethylamino)-2-methylphenyl]-2-[5-(2,3-dimethoxyphenyl)tetrazol-2-yl]acetamide

C22H28N6O3 — CID 648837

IUPACN-[4-(diethylamino)-2-methylphenyl]-2-[5-(2,3-dimethoxyphenyl)tetrazol-2-yl]acetamide
SMILESCCN(CC)c1ccc(NC(=O)Cn2nnc(-c3cccc(OC)c3OC)n2)c(C)c1
InChIInChI=1S/C22H28N6O3/c1-6-27(7-2)16-11-12-18(15(3)13-16)23-20(29)14-28-25-22(24-26-28)17-9-8-10-19(30-4)21(17)31-5/h8-13H,6-7,14H2,1-5H3,(H,23,29)
InChIKeySQEZCIORPPTUKC-UHFFFAOYSA-N
MW424.51 g/mol
LogP3.15
Rot. Bonds9

About N-[4-(diethylamino)-2-methylphenyl]-2-[5-(2,3-dimethoxyphenyl)tetrazol-2-yl]acetamide

N-[4-(diethylamino)-2-methylphenyl]-2-[5-(2,3-dimethoxyphenyl)tetrazol-2-yl]acetamide (PubChem CID 648837) has the molecular formula C22H28N6O3 and a molecular weight of 424.51 g/mol. Its IUPAC name is N-[4-(diethylamino)-2-methylphenyl]-2-[5-(2,3-dimethoxyphenyl)tetrazol-2-yl]acetamide.

Molecular Properties

Compound NameN-[4-(diethylamino)-2-methylphenyl]-2-[5-(2,3-dimethoxyphenyl)tetrazol-2-yl]acetamide
PubChem CID648837
Molecular FormulaC22H28N6O3
Molecular Weight424.51 g/mol
Exact Mass424.22
IUPAC NameN-[4-(diethylamino)-2-methylphenyl]-2-[5-(2,3-dimethoxyphenyl)tetrazol-2-yl]acetamide
SMILESCCN(CC)c1ccc(NC(=O)Cn2nnc(-c3cccc(OC)c3OC)n2)c(C)c1
InChIInChI=1S/C22H28N6O3/c1-6-27(7-2)16-11-12-18(15(3)13-16)23-20(29)14-28-25-22(24-26-28)17-9-8-10-19(30-4)21(17)31-5/h8-13H,6-7,14H2,1-5H3,(H,23,29)
InChIKeySQEZCIORPPTUKC-UHFFFAOYSA-N
XLogP3.15
TPSA94.40 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.51
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

2-[5-(2-fluorophenyl)-2H-tetrazol-2-yl]-N-(4-methoxyphenyl)acetamide
CID 579006
N-[(3-methoxyphenyl)methyl]-N-[3-(2H-tetrazol-5-yl)phenyl]propanamide
CID 49872682
N-(2-{2-[(4-Ethoxy-phenylcarbamoyl)-methyl]-2H-tetrazol-5-yl}-phenyl)-butyramide
CID 645244
N-(2-{2-[(4-Ethoxy-phenylcarbamoyl)-methyl]-2H-tetrazol-5-yl}-phenyl)-propionamide
CID 646108
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[5-(4-morpholin-4-ylphenyl)tetrazol-2-yl]acetamide
CID 646240
N-(2-{2-[(4-Methoxy-phenylcarbamoyl)-methyl]-2H-tetrazol-5-yl}-phenyl)-butyramide
CID 646949
2-[5-(3,4-Diethoxy-phenyl)-tetrazol-2-yl]-N-(2-ethoxy-phenyl)-acetamide
CID 649643
2-[5-(2-Amino-phenyl)-tetrazol-2-yl]-N-(3-methoxy-phenyl)-acetamide
CID 652080
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

Frequently Asked Questions

What is the IUPAC name of N-[4-(diethylamino)-2-methylphenyl]-2-[5-(2,3-dimethoxyphenyl)tetrazol-2-yl]acetamide?
The IUPAC name of N-[4-(diethylamino)-2-methylphenyl]-2-[5-(2,3-dimethoxyphenyl)tetrazol-2-yl]acetamide (CID 648837) is N-[4-(diethylamino)-2-methylphenyl]-2-[5-(2,3-dimethoxyphenyl)tetrazol-2-yl]acetamide.
What is the SMILES notation for N-[4-(diethylamino)-2-methylphenyl]-2-[5-(2,3-dimethoxyphenyl)tetrazol-2-yl]acetamide?
The canonical SMILES for N-[4-(diethylamino)-2-methylphenyl]-2-[5-(2,3-dimethoxyphenyl)tetrazol-2-yl]acetamide is CCN(CC)c1ccc(NC(=O)Cn2nnc(-c3cccc(OC)c3OC)n2)c(C)c1.
What is the InChIKey of N-[4-(diethylamino)-2-methylphenyl]-2-[5-(2,3-dimethoxyphenyl)tetrazol-2-yl]acetamide?
The InChIKey is SQEZCIORPPTUKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N6O3/c1-6-27(7-2)16-11-12-18(15(3)13-16)23-20(29)14-28-25-22(24-26-28)17-9-8-10-19(30-4)21(17)31-5/h8-13H,6-7,14H2,1-5H3,(H,23,29).
What are the key properties of N-[4-(diethylamino)-2-methylphenyl]-2-[5-(2,3-dimethoxyphenyl)tetrazol-2-yl]acetamide?
N-[4-(diethylamino)-2-methylphenyl]-2-[5-(2,3-dimethoxyphenyl)tetrazol-2-yl]acetamide has a molecular weight of 424.51 g/mol, XLogP of 3.15, 9 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(diethylamino)-2-methylphenyl]-2-[5-(2,3-dimethoxyphenyl)tetrazol-2-yl]acetamide is sourced from PubChem (CID 648837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).