N-[2-(3,5-dimethylphenoxy)ethyl]-N-methyl-3-phenyl-2-(tetrazol-1-yl)propanamide

C21H25N5O2 — CID 55430363

IUPACN-[2-(3,5-dimethylphenoxy)ethyl]-N-methyl-3-phenyl-2-(tetrazol-1-yl)propanamide
SMILESCc1cc(C)cc(OCCN(C)C(=O)C(Cc2ccccc2)n2cnnn2)c1
InChIInChI=1S/C21H25N5O2/c1-16-11-17(2)13-19(12-16)28-10-9-25(3)21(27)20(26-15-22-23-24-26)14-18-7-5-4-6-8-18/h4-8,11-13,15,20H,9-10,14H2,1-3H3
InChIKeyKGMBKFDKBNRQFJ-UHFFFAOYSA-N
MW379.46 g/mol
LogP2.61
Rot. Bonds8

About N-[2-(3,5-dimethylphenoxy)ethyl]-N-methyl-3-phenyl-2-(tetrazol-1-yl)propanamide

N-[2-(3,5-dimethylphenoxy)ethyl]-N-methyl-3-phenyl-2-(tetrazol-1-yl)propanamide (PubChem CID 55430363) has the molecular formula C21H25N5O2 and a molecular weight of 379.46 g/mol. Its IUPAC name is N-[2-(3,5-dimethylphenoxy)ethyl]-N-methyl-3-phenyl-2-(tetrazol-1-yl)propanamide.

Molecular Properties

Compound NameN-[2-(3,5-dimethylphenoxy)ethyl]-N-methyl-3-phenyl-2-(tetrazol-1-yl)propanamide
PubChem CID55430363
Molecular FormulaC21H25N5O2
Molecular Weight379.46 g/mol
Exact Mass379.20
IUPAC NameN-[2-(3,5-dimethylphenoxy)ethyl]-N-methyl-3-phenyl-2-(tetrazol-1-yl)propanamide
SMILESCc1cc(C)cc(OCCN(C)C(=O)C(Cc2ccccc2)n2cnnn2)c1
InChIInChI=1S/C21H25N5O2/c1-16-11-17(2)13-19(12-16)28-10-9-25(3)21(27)20(26-15-22-23-24-26)14-18-7-5-4-6-8-18/h4-8,11-13,15,20H,9-10,14H2,1-3H3
InChIKeyKGMBKFDKBNRQFJ-UHFFFAOYSA-N
XLogP2.61
TPSA73.14 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.46
LogP ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-(4-methylphenoxy)ethyl (2R)-3-phenyl-2-(tetrazol-1-yl)propanoate
CID 8509646
N-[(2-chlorophenyl)methyl]-N-methyl-3-phenyl-2-(tetrazol-1-yl)propanamide
CID 134012748
(2R)-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-3-phenyl-2-(tetrazol-1-yl)propanamide
CID 31852023
N-methyl-3-phenyl-N-[(1-phenylpyrazol-4-yl)methyl]-2-(tetrazol-1-yl)propanamide
CID 51237834
1-benzyl-N-[2-(3,5-dimethylphenoxy)ethyl]-N-methyl-6-oxopyridazine-3-carboxamide
CID 31795511
N-[2-(3,5-dimethylphenoxy)ethyl]-2,2-difluoro-N-methylacetamide
CID 113219438
N-[4-(4-fluorophenoxy)butyl]-3-phenyl-2-(tetrazol-1-yl)propanamide
CID 51260416
N-[2-(3,5-dimethylphenoxy)ethyl]-2-(1,1-dioxo-1,4-thiazinan-4-yl)-N-methyl-2-phenylacetamide
CID 56573537
N-methyl-N-(2-phenoxyethyl)-3-(tetrazol-1-yl)benzamide
CID 30881718
N-[2-(3,5-dimethylphenoxy)ethyl]-N-methyl-2-(methylamino)propanamide
CID 62639499
1-[4-(3-methylphenyl)piperazin-1-yl]-3-phenyl-2-(tetrazol-1-yl)propan-1-one
CID 46448815
(2S)-N-(2-ethoxyphenyl)-3-phenyl-2-(tetrazol-1-yl)propanamide
CID 51981117

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,5-dimethylphenoxy)ethyl]-N-methyl-3-phenyl-2-(tetrazol-1-yl)propanamide?
The IUPAC name of N-[2-(3,5-dimethylphenoxy)ethyl]-N-methyl-3-phenyl-2-(tetrazol-1-yl)propanamide (CID 55430363) is N-[2-(3,5-dimethylphenoxy)ethyl]-N-methyl-3-phenyl-2-(tetrazol-1-yl)propanamide.
What is the SMILES notation for N-[2-(3,5-dimethylphenoxy)ethyl]-N-methyl-3-phenyl-2-(tetrazol-1-yl)propanamide?
The canonical SMILES for N-[2-(3,5-dimethylphenoxy)ethyl]-N-methyl-3-phenyl-2-(tetrazol-1-yl)propanamide is Cc1cc(C)cc(OCCN(C)C(=O)C(Cc2ccccc2)n2cnnn2)c1.
What is the InChIKey of N-[2-(3,5-dimethylphenoxy)ethyl]-N-methyl-3-phenyl-2-(tetrazol-1-yl)propanamide?
The InChIKey is KGMBKFDKBNRQFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N5O2/c1-16-11-17(2)13-19(12-16)28-10-9-25(3)21(27)20(26-15-22-23-24-26)14-18-7-5-4-6-8-18/h4-8,11-13,15,20H,9-10,14H2,1-3H3.
What are the key properties of N-[2-(3,5-dimethylphenoxy)ethyl]-N-methyl-3-phenyl-2-(tetrazol-1-yl)propanamide?
N-[2-(3,5-dimethylphenoxy)ethyl]-N-methyl-3-phenyl-2-(tetrazol-1-yl)propanamide has a molecular weight of 379.46 g/mol, XLogP of 2.61, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,5-dimethylphenoxy)ethyl]-N-methyl-3-phenyl-2-(tetrazol-1-yl)propanamide is sourced from PubChem (CID 55430363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).