2-(tert-butylamino)-N-[2-methyl-5-(tetrazol-1-yl)phenyl]acetamide

C14H20N6O — CID 78923820

IUPAC2-(tert-butylamino)-N-[2-methyl-5-(tetrazol-1-yl)phenyl]acetamide
SMILESCc1ccc(-n2cnnn2)cc1NC(=O)CNC(C)(C)C
InChIInChI=1S/C14H20N6O/c1-10-5-6-11(20-9-16-18-19-20)7-12(10)17-13(21)8-15-14(2,3)4/h5-7,9,15H,8H2,1-4H3,(H,17,21)
InChIKeyPUYKDEBWMBLFQR-UHFFFAOYSA-N
MW288.36 g/mol
LogP1.30
Rot. Bonds4

About 2-(tert-butylamino)-N-[2-methyl-5-(tetrazol-1-yl)phenyl]acetamide

2-(tert-butylamino)-N-[2-methyl-5-(tetrazol-1-yl)phenyl]acetamide (PubChem CID 78923820) has the molecular formula C14H20N6O and a molecular weight of 288.36 g/mol. Its IUPAC name is 2-(tert-butylamino)-N-[2-methyl-5-(tetrazol-1-yl)phenyl]acetamide.

Molecular Properties

Compound Name2-(tert-butylamino)-N-[2-methyl-5-(tetrazol-1-yl)phenyl]acetamide
PubChem CID78923820
Molecular FormulaC14H20N6O
Molecular Weight288.36 g/mol
Exact Mass288.17
IUPAC Name2-(tert-butylamino)-N-[2-methyl-5-(tetrazol-1-yl)phenyl]acetamide
SMILESCc1ccc(-n2cnnn2)cc1NC(=O)CNC(C)(C)C
InChIInChI=1S/C14H20N6O/c1-10-5-6-11(20-9-16-18-19-20)7-12(10)17-13(21)8-15-14(2,3)4/h5-7,9,15H,8H2,1-4H3,(H,17,21)
InChIKeyPUYKDEBWMBLFQR-UHFFFAOYSA-N
XLogP1.30
TPSA84.73 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.36
LogP ≤ 51.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-N-tert-butyl-1-N-[2-methyl-5-(tetrazol-1-yl)phenyl]benzene-1,4-dicarboxamide
CID 48857945
N-[2-methyl-5-(tetrazol-1-yl)phenyl]-2-(prop-2-enylamino)acetamide
CID 79285286
5-hydroxy-N-[2-methyl-5-(tetrazol-1-yl)phenyl]pentanamide
CID 79198857
4-tert-butyl-N-[3-[2-methyl-5-(tetrazol-1-yl)anilino]-3-oxopropyl]benzamide
CID 55780761
N-[2-methyl-5-(tetrazol-1-yl)phenyl]benzamide
CID 60789520
N-[2-methyl-4-(tetrazol-1-yl)phenyl]propanamide
CID 865674
N-[2-fluoro-5-(tetrazol-1-yl)phenyl]-2-(methylamino)acetamide
CID 54862457
3-(2,4-dichlorophenyl)-N-[2-methyl-5-(tetrazol-1-yl)phenyl]propanamide
CID 55780794
N-[2-methyl-5-(tetrazol-1-yl)phenyl]cyclopentanecarboxamide
CID 47047444
3-[2-methyl-5-(tetrazol-1-yl)anilino]propan-1-ol
CID 75426087
3-amino-4-[2-methyl-5-(tetrazol-1-yl)anilino]-4-oxobutanoic acid
CID 64895694
2-[[2-methyl-5-(tetrazol-1-yl)phenyl]carbamoyl]cyclopropane-1-carboxylic acid
CID 60940554

Frequently Asked Questions

What is the IUPAC name of 2-(tert-butylamino)-N-[2-methyl-5-(tetrazol-1-yl)phenyl]acetamide?
The IUPAC name of 2-(tert-butylamino)-N-[2-methyl-5-(tetrazol-1-yl)phenyl]acetamide (CID 78923820) is 2-(tert-butylamino)-N-[2-methyl-5-(tetrazol-1-yl)phenyl]acetamide.
What is the SMILES notation for 2-(tert-butylamino)-N-[2-methyl-5-(tetrazol-1-yl)phenyl]acetamide?
The canonical SMILES for 2-(tert-butylamino)-N-[2-methyl-5-(tetrazol-1-yl)phenyl]acetamide is Cc1ccc(-n2cnnn2)cc1NC(=O)CNC(C)(C)C.
What is the InChIKey of 2-(tert-butylamino)-N-[2-methyl-5-(tetrazol-1-yl)phenyl]acetamide?
The InChIKey is PUYKDEBWMBLFQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N6O/c1-10-5-6-11(20-9-16-18-19-20)7-12(10)17-13(21)8-15-14(2,3)4/h5-7,9,15H,8H2,1-4H3,(H,17,21).
What are the key properties of 2-(tert-butylamino)-N-[2-methyl-5-(tetrazol-1-yl)phenyl]acetamide?
2-(tert-butylamino)-N-[2-methyl-5-(tetrazol-1-yl)phenyl]acetamide has a molecular weight of 288.36 g/mol, XLogP of 1.30, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(tert-butylamino)-N-[2-methyl-5-(tetrazol-1-yl)phenyl]acetamide is sourced from PubChem (CID 78923820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).