2-(3-tert-butylphenoxy)-N-[3-(5-methyltetrazol-1-yl)phenyl]propanamide

C21H25N5O2 — CID 55777773

IUPAC2-(3-tert-butylphenoxy)-N-[3-(5-methyltetrazol-1-yl)phenyl]propanamide
SMILESCc1nnnn1-c1cccc(NC(=O)C(C)Oc2cccc(C(C)(C)C)c2)c1
InChIInChI=1S/C21H25N5O2/c1-14(28-19-11-6-8-16(12-19)21(3,4)5)20(27)22-17-9-7-10-18(13-17)26-15(2)23-24-25-26/h6-14H,1-5H3,(H,22,27)
InChIKeyMSDKQMCNKSXVFH-UHFFFAOYSA-N
MW379.46 g/mol
LogP3.67
Rot. Bonds5

About 2-(3-tert-butylphenoxy)-N-[3-(5-methyltetrazol-1-yl)phenyl]propanamide

2-(3-tert-butylphenoxy)-N-[3-(5-methyltetrazol-1-yl)phenyl]propanamide (PubChem CID 55777773) has the molecular formula C21H25N5O2 and a molecular weight of 379.46 g/mol. Its IUPAC name is 2-(3-tert-butylphenoxy)-N-[3-(5-methyltetrazol-1-yl)phenyl]propanamide.

Molecular Properties

Compound Name2-(3-tert-butylphenoxy)-N-[3-(5-methyltetrazol-1-yl)phenyl]propanamide
PubChem CID55777773
Molecular FormulaC21H25N5O2
Molecular Weight379.46 g/mol
Exact Mass379.20
IUPAC Name2-(3-tert-butylphenoxy)-N-[3-(5-methyltetrazol-1-yl)phenyl]propanamide
SMILESCc1nnnn1-c1cccc(NC(=O)C(C)Oc2cccc(C(C)(C)C)c2)c1
InChIInChI=1S/C21H25N5O2/c1-14(28-19-11-6-8-16(12-19)21(3,4)5)20(27)22-17-9-7-10-18(13-17)26-15(2)23-24-25-26/h6-14H,1-5H3,(H,22,27)
InChIKeyMSDKQMCNKSXVFH-UHFFFAOYSA-N
XLogP3.67
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.46
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(2,4-dichlorophenoxy)-N-[3-(5-methyltetrazol-1-yl)phenyl]propanamide
CID 55676966
(2S)-2-amino-3-methyl-N-[3-(5-methyltetrazol-1-yl)phenyl]butanamide
CID 61178099
2-methylsulfanyl-N-[3-(5-methyltetrazol-1-yl)phenyl]propanamide
CID 47329361
2-amino-3-methyl-N-[3-(5-methyltetrazol-1-yl)phenyl]pentanamide
CID 43713354
(2R)-2-amino-4-methyl-N-[3-(5-methyltetrazol-1-yl)phenyl]pentanamide
CID 104902927
phenyl N-[3-(5-methyltetrazol-1-yl)phenyl]carbamate
CID 69112128
2-hydroxy-N-[3-(5-methyltetrazol-1-yl)phenyl]-2-phenylacetamide
CID 111432358
5-amino-2-methyl-N-[3-(5-methyltetrazol-1-yl)phenyl]pentanamide
CID 104684147
(2S)-2-(benzenesulfonamido)-N-[3-(5-methyltetrazol-1-yl)phenyl]propanamide
CID 55939907
N-[4-[2-(3-tert-butylphenoxy)propanoylamino]phenyl]-2-methylpropanamide
CID 55770987
2-(3-tert-butylphenoxy)-N-[3-(propanoylamino)phenyl]propanamide
CID 55774306
2-[3,5-bis(trifluoromethyl)phenoxy]-N-[3-(5-methyltetrazol-1-yl)phenyl]acetamide
CID 78864201

Frequently Asked Questions

What is the IUPAC name of 2-(3-tert-butylphenoxy)-N-[3-(5-methyltetrazol-1-yl)phenyl]propanamide?
The IUPAC name of 2-(3-tert-butylphenoxy)-N-[3-(5-methyltetrazol-1-yl)phenyl]propanamide (CID 55777773) is 2-(3-tert-butylphenoxy)-N-[3-(5-methyltetrazol-1-yl)phenyl]propanamide.
What is the SMILES notation for 2-(3-tert-butylphenoxy)-N-[3-(5-methyltetrazol-1-yl)phenyl]propanamide?
The canonical SMILES for 2-(3-tert-butylphenoxy)-N-[3-(5-methyltetrazol-1-yl)phenyl]propanamide is Cc1nnnn1-c1cccc(NC(=O)C(C)Oc2cccc(C(C)(C)C)c2)c1.
What is the InChIKey of 2-(3-tert-butylphenoxy)-N-[3-(5-methyltetrazol-1-yl)phenyl]propanamide?
The InChIKey is MSDKQMCNKSXVFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N5O2/c1-14(28-19-11-6-8-16(12-19)21(3,4)5)20(27)22-17-9-7-10-18(13-17)26-15(2)23-24-25-26/h6-14H,1-5H3,(H,22,27).
What are the key properties of 2-(3-tert-butylphenoxy)-N-[3-(5-methyltetrazol-1-yl)phenyl]propanamide?
2-(3-tert-butylphenoxy)-N-[3-(5-methyltetrazol-1-yl)phenyl]propanamide has a molecular weight of 379.46 g/mol, XLogP of 3.67, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-tert-butylphenoxy)-N-[3-(5-methyltetrazol-1-yl)phenyl]propanamide is sourced from PubChem (CID 55777773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).