N-[2-methyl-4-(tetrazol-1-yl)phenyl]propanamide

C11H13N5O — CID 865674

IUPACN-[2-methyl-4-(tetrazol-1-yl)phenyl]propanamide
SMILESCCC(=O)Nc1ccc(-n2cnnn2)cc1C
InChIInChI=1S/C11H13N5O/c1-3-11(17)13-10-5-4-9(6-8(10)2)16-7-12-14-15-16/h4-7H,3H2,1-2H3,(H,13,17)
InChIKeyXVNYZUZCWLRPAE-UHFFFAOYSA-N
MW231.26 g/mol
LogP1.32
Rot. Bonds3

About N-[2-methyl-4-(tetrazol-1-yl)phenyl]propanamide

N-[2-methyl-4-(tetrazol-1-yl)phenyl]propanamide (PubChem CID 865674) has the molecular formula C11H13N5O and a molecular weight of 231.26 g/mol. Its IUPAC name is N-[2-methyl-4-(tetrazol-1-yl)phenyl]propanamide.

Molecular Properties

Compound NameN-[2-methyl-4-(tetrazol-1-yl)phenyl]propanamide
PubChem CID865674
Molecular FormulaC11H13N5O
Molecular Weight231.26 g/mol
Exact Mass231.11
IUPAC NameN-[2-methyl-4-(tetrazol-1-yl)phenyl]propanamide
SMILESCCC(=O)Nc1ccc(-n2cnnn2)cc1C
InChIInChI=1S/C11H13N5O/c1-3-11(17)13-10-5-4-9(6-8(10)2)16-7-12-14-15-16/h4-7H,3H2,1-2H3,(H,13,17)
InChIKeyXVNYZUZCWLRPAE-UHFFFAOYSA-N
XLogP1.32
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.26
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(tert-butylamino)-N-[2-methyl-5-(tetrazol-1-yl)phenyl]acetamide
CID 78923820
N-(2-methyl-4-pyrrolidin-1-ylphenyl)-2-[3-(tetrazol-1-yl)phenoxy]acetamide
CID 55400343
5-hydroxy-N-[2-methyl-5-(tetrazol-1-yl)phenyl]pentanamide
CID 79198857
N-[2-fluoro-5-(tetrazol-1-yl)phenyl]-2-(methylamino)acetamide
CID 54862457
N-[2-methyl-5-(tetrazol-1-yl)phenyl]-2-(prop-2-enylamino)acetamide
CID 79285286
N-[2-fluoro-5-(tetrazol-1-yl)phenyl]-3-oxobutanamide
CID 54867267
N-[2-methyl-5-(tetrazol-1-yl)phenyl]benzamide
CID 60789520
N-[2-fluoro-5-(tetrazol-1-yl)phenyl]-2-(prop-2-ynylamino)acetamide
CID 79286663
3-amino-4-[2-methyl-5-(tetrazol-1-yl)anilino]-4-oxobutanoic acid
CID 64895694
4-tert-butyl-N-[3-[2-methyl-5-(tetrazol-1-yl)anilino]-3-oxopropyl]benzamide
CID 55780761
N-(2-methylphenyl)-3-(tetrazol-1-yl)benzamide
CID 862130
3-(2,4-dichlorophenyl)-N-[2-methyl-5-(tetrazol-1-yl)phenyl]propanamide
CID 55780794

Frequently Asked Questions

What is the IUPAC name of N-[2-methyl-4-(tetrazol-1-yl)phenyl]propanamide?
The IUPAC name of N-[2-methyl-4-(tetrazol-1-yl)phenyl]propanamide (CID 865674) is N-[2-methyl-4-(tetrazol-1-yl)phenyl]propanamide.
What is the SMILES notation for N-[2-methyl-4-(tetrazol-1-yl)phenyl]propanamide?
The canonical SMILES for N-[2-methyl-4-(tetrazol-1-yl)phenyl]propanamide is CCC(=O)Nc1ccc(-n2cnnn2)cc1C.
What is the InChIKey of N-[2-methyl-4-(tetrazol-1-yl)phenyl]propanamide?
The InChIKey is XVNYZUZCWLRPAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N5O/c1-3-11(17)13-10-5-4-9(6-8(10)2)16-7-12-14-15-16/h4-7H,3H2,1-2H3,(H,13,17).
What are the key properties of N-[2-methyl-4-(tetrazol-1-yl)phenyl]propanamide?
N-[2-methyl-4-(tetrazol-1-yl)phenyl]propanamide has a molecular weight of 231.26 g/mol, XLogP of 1.32, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-methyl-4-(tetrazol-1-yl)phenyl]propanamide is sourced from PubChem (CID 865674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).