N'-[5-methoxy-2-(tetrazol-1-yl)phenyl]-N-(2-methylpropyl)oxamide

C14H18N6O3 — CID 46983508

IUPACN'-[5-methoxy-2-(tetrazol-1-yl)phenyl]-N-(2-methylpropyl)oxamide
SMILESCOc1ccc(-n2cnnn2)c(NC(=O)C(=O)NCC(C)C)c1
InChIInChI=1S/C14H18N6O3/c1-9(2)7-15-13(21)14(22)17-11-6-10(23-3)4-5-12(11)20-8-16-18-19-20/h4-6,8-9H,7H2,1-3H3,(H,15,21)(H,17,22)
InChIKeyBEMUUPINRJRVCN-UHFFFAOYSA-N
MW318.34 g/mol
LogP0.38
Rot. Bonds5

About N'-[5-methoxy-2-(tetrazol-1-yl)phenyl]-N-(2-methylpropyl)oxamide

N'-[5-methoxy-2-(tetrazol-1-yl)phenyl]-N-(2-methylpropyl)oxamide (PubChem CID 46983508) has the molecular formula C14H18N6O3 and a molecular weight of 318.34 g/mol. Its IUPAC name is N'-[5-methoxy-2-(tetrazol-1-yl)phenyl]-N-(2-methylpropyl)oxamide.

Molecular Properties

Compound NameN'-[5-methoxy-2-(tetrazol-1-yl)phenyl]-N-(2-methylpropyl)oxamide
PubChem CID46983508
Molecular FormulaC14H18N6O3
Molecular Weight318.34 g/mol
Exact Mass318.14
IUPAC NameN'-[5-methoxy-2-(tetrazol-1-yl)phenyl]-N-(2-methylpropyl)oxamide
SMILESCOc1ccc(-n2cnnn2)c(NC(=O)C(=O)NCC(C)C)c1
InChIInChI=1S/C14H18N6O3/c1-9(2)7-15-13(21)14(22)17-11-6-10(23-3)4-5-12(11)20-8-16-18-19-20/h4-6,8-9H,7H2,1-3H3,(H,15,21)(H,17,22)
InChIKeyBEMUUPINRJRVCN-UHFFFAOYSA-N
XLogP0.38
TPSA111.03 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.34
LogP ≤ 50.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

N'-(2,5-dimethoxyphenyl)-N-(2-methylpropyl)oxamide
CID 44995689
1-(2-hydroxyethyl)-3-[5-methoxy-2-(tetrazol-1-yl)anilino]pyrrole-2,5-dione
CID 168558910
4-methoxy-N-[2-morpholin-4-yl-5-(tetrazol-1-yl)phenyl]benzamide
CID 50776826
(2S)-2-amino-4-methyl-N-[2-(tetrazol-1-yl)phenyl]pentanamide
CID 61180779
2-amino-4-methyl-N-[2-(tetrazol-1-yl)phenyl]pentanamide
CID 43706192
N-[4-methoxy-3-(tetrazol-1-yl)phenyl]-3-methylbutanamide
CID 45491400
2-bromo-4-methoxyaniline;1-(2-bromo-4-methoxyphenyl)tetrazole
CID 159756962
N-(2-chloro-4-methoxyphenyl)-3-(tetrazol-1-yl)thiophene-2-carboxamide
CID 86858047
5-fluoro-N-[(4-methoxyphenyl)methyl]-2-(tetrazol-1-yl)benzamide
CID 42582423
3,5-dimethoxy-N-[2-pyrrolidin-1-yl-5-(tetrazol-1-yl)phenyl]benzamide
CID 50776801
3-chloro-2-methyl-N-[2-(tetrazol-1-yl)phenyl]propanamide
CID 55110809
N-[(3-methoxyphenyl)methyl]-N'-(2-methylpropyl)oxamide
CID 44902382

Frequently Asked Questions

What is the IUPAC name of N'-[5-methoxy-2-(tetrazol-1-yl)phenyl]-N-(2-methylpropyl)oxamide?
The IUPAC name of N'-[5-methoxy-2-(tetrazol-1-yl)phenyl]-N-(2-methylpropyl)oxamide (CID 46983508) is N'-[5-methoxy-2-(tetrazol-1-yl)phenyl]-N-(2-methylpropyl)oxamide.
What is the SMILES notation for N'-[5-methoxy-2-(tetrazol-1-yl)phenyl]-N-(2-methylpropyl)oxamide?
The canonical SMILES for N'-[5-methoxy-2-(tetrazol-1-yl)phenyl]-N-(2-methylpropyl)oxamide is COc1ccc(-n2cnnn2)c(NC(=O)C(=O)NCC(C)C)c1.
What is the InChIKey of N'-[5-methoxy-2-(tetrazol-1-yl)phenyl]-N-(2-methylpropyl)oxamide?
The InChIKey is BEMUUPINRJRVCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N6O3/c1-9(2)7-15-13(21)14(22)17-11-6-10(23-3)4-5-12(11)20-8-16-18-19-20/h4-6,8-9H,7H2,1-3H3,(H,15,21)(H,17,22).
What are the key properties of N'-[5-methoxy-2-(tetrazol-1-yl)phenyl]-N-(2-methylpropyl)oxamide?
N'-[5-methoxy-2-(tetrazol-1-yl)phenyl]-N-(2-methylpropyl)oxamide has a molecular weight of 318.34 g/mol, XLogP of 0.38, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[5-methoxy-2-(tetrazol-1-yl)phenyl]-N-(2-methylpropyl)oxamide is sourced from PubChem (CID 46983508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).