N-[2-methyl-5-(tetrazol-1-yl)phenyl]-2-(prop-2-enylamino)acetamide

C13H16N6O — CID 79285286

IUPACN-[2-methyl-5-(tetrazol-1-yl)phenyl]-2-(prop-2-enylamino)acetamide
SMILESC=CCNCC(=O)Nc1cc(-n2cnnn2)ccc1C
InChIInChI=1S/C13H16N6O/c1-3-6-14-8-13(20)16-12-7-11(5-4-10(12)2)19-9-15-17-18-19/h3-5,7,9,14H,1,6,8H2,2H3,(H,16,20)
InChIKeyBEPMBOGZEFWWSW-UHFFFAOYSA-N
MW272.31 g/mol
LogP0.68
Rot. Bonds6

About N-[2-methyl-5-(tetrazol-1-yl)phenyl]-2-(prop-2-enylamino)acetamide

N-[2-methyl-5-(tetrazol-1-yl)phenyl]-2-(prop-2-enylamino)acetamide (PubChem CID 79285286) has the molecular formula C13H16N6O and a molecular weight of 272.31 g/mol. Its IUPAC name is N-[2-methyl-5-(tetrazol-1-yl)phenyl]-2-(prop-2-enylamino)acetamide.

Molecular Properties

Compound NameN-[2-methyl-5-(tetrazol-1-yl)phenyl]-2-(prop-2-enylamino)acetamide
PubChem CID79285286
Molecular FormulaC13H16N6O
Molecular Weight272.31 g/mol
Exact Mass272.14
IUPAC NameN-[2-methyl-5-(tetrazol-1-yl)phenyl]-2-(prop-2-enylamino)acetamide
SMILESC=CCNCC(=O)Nc1cc(-n2cnnn2)ccc1C
InChIInChI=1S/C13H16N6O/c1-3-6-14-8-13(20)16-12-7-11(5-4-10(12)2)19-9-15-17-18-19/h3-5,7,9,14H,1,6,8H2,2H3,(H,16,20)
InChIKeyBEPMBOGZEFWWSW-UHFFFAOYSA-N
XLogP0.68
TPSA84.73 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.31
LogP ≤ 50.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N-[2-fluoro-5-(tetrazol-1-yl)phenyl]-2-(prop-2-enylamino)acetamide
CID 79285392
2-(tert-butylamino)-N-[2-methyl-5-(tetrazol-1-yl)phenyl]acetamide
CID 78923820
5-hydroxy-N-[2-methyl-5-(tetrazol-1-yl)phenyl]pentanamide
CID 79198857
N-[2-methyl-5-(tetrazol-1-yl)phenyl]benzamide
CID 60789520
N-[2-methyl-4-(tetrazol-1-yl)phenyl]propanamide
CID 865674
N,4-dimethyl-3-[[2-(prop-2-enylamino)acetyl]amino]benzamide
CID 79285015
4-tert-butyl-N-[3-[2-methyl-5-(tetrazol-1-yl)anilino]-3-oxopropyl]benzamide
CID 55780761
N-[2-fluoro-5-(tetrazol-1-yl)phenyl]-2-(methylamino)acetamide
CID 54862457
4-N-tert-butyl-1-N-[2-methyl-5-(tetrazol-1-yl)phenyl]benzene-1,4-dicarboxamide
CID 48857945
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-amino-4-[2-methyl-5-(tetrazol-1-yl)anilino]-4-oxobutanoic acid
CID 64895694

Frequently Asked Questions

What is the IUPAC name of N-[2-methyl-5-(tetrazol-1-yl)phenyl]-2-(prop-2-enylamino)acetamide?
The IUPAC name of N-[2-methyl-5-(tetrazol-1-yl)phenyl]-2-(prop-2-enylamino)acetamide (CID 79285286) is N-[2-methyl-5-(tetrazol-1-yl)phenyl]-2-(prop-2-enylamino)acetamide.
What is the SMILES notation for N-[2-methyl-5-(tetrazol-1-yl)phenyl]-2-(prop-2-enylamino)acetamide?
The canonical SMILES for N-[2-methyl-5-(tetrazol-1-yl)phenyl]-2-(prop-2-enylamino)acetamide is C=CCNCC(=O)Nc1cc(-n2cnnn2)ccc1C.
What is the InChIKey of N-[2-methyl-5-(tetrazol-1-yl)phenyl]-2-(prop-2-enylamino)acetamide?
The InChIKey is BEPMBOGZEFWWSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N6O/c1-3-6-14-8-13(20)16-12-7-11(5-4-10(12)2)19-9-15-17-18-19/h3-5,7,9,14H,1,6,8H2,2H3,(H,16,20).
What are the key properties of N-[2-methyl-5-(tetrazol-1-yl)phenyl]-2-(prop-2-enylamino)acetamide?
N-[2-methyl-5-(tetrazol-1-yl)phenyl]-2-(prop-2-enylamino)acetamide has a molecular weight of 272.31 g/mol, XLogP of 0.68, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-methyl-5-(tetrazol-1-yl)phenyl]-2-(prop-2-enylamino)acetamide is sourced from PubChem (CID 79285286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).