N-(2,5-dimethoxyphenyl)-3-(tetrazol-1-yl)propanamide

C12H15N5O3 — CID 5298020

IUPACN-(2,5-dimethoxyphenyl)-3-(tetrazol-1-yl)propanamide
SMILESCOc1ccc(OC)c(NC(=O)CCn2cnnn2)c1
InChIInChI=1S/C12H15N5O3/c1-19-9-3-4-11(20-2)10(7-9)14-12(18)5-6-17-8-13-15-16-17/h3-4,7-8H,5-6H2,1-2H3,(H,14,18)
InChIKeyJTPPRAQQMJKPIZ-UHFFFAOYSA-N
MW277.28 g/mol
LogP0.72
Rot. Bonds6

About N-(2,5-dimethoxyphenyl)-3-(tetrazol-1-yl)propanamide

N-(2,5-dimethoxyphenyl)-3-(tetrazol-1-yl)propanamide (PubChem CID 5298020) has the molecular formula C12H15N5O3 and a molecular weight of 277.28 g/mol. Its IUPAC name is N-(2,5-dimethoxyphenyl)-3-(tetrazol-1-yl)propanamide.

Molecular Properties

Compound NameN-(2,5-dimethoxyphenyl)-3-(tetrazol-1-yl)propanamide
PubChem CID5298020
Molecular FormulaC12H15N5O3
Molecular Weight277.28 g/mol
Exact Mass277.12
IUPAC NameN-(2,5-dimethoxyphenyl)-3-(tetrazol-1-yl)propanamide
SMILESCOc1ccc(OC)c(NC(=O)CCn2cnnn2)c1
InChIInChI=1S/C12H15N5O3/c1-19-9-3-4-11(20-2)10(7-9)14-12(18)5-6-17-8-13-15-16-17/h3-4,7-8H,5-6H2,1-2H3,(H,14,18)
InChIKeyJTPPRAQQMJKPIZ-UHFFFAOYSA-N
XLogP0.72
TPSA91.16 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.28
LogP ≤ 50.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-(3-methoxyphenyl)-2-[3-(1H-tetraazol-1-yl)phenoxy]acetamide
CID 1140121
N-(2-Methoxy-phenyl)-2-(3-tetrazol-1-yl-phenoxy)-acetamide
CID 647163
N-(2-Ethoxy-phenyl)-2-(3-tetrazol-1-yl-phenoxy)-acetamide
CID 654404
(2R)-2-amino-N-[3-methoxy-4-(1,2,4-triazol-1-yl)phenyl]-4-methylpentanamide
CID 117800438
1-(2,5-dimethoxyphenyl)-1H-tetrazole
CID 665562
3-methoxy-4-(1H-1,2,3,4-tetrazol-1-yl)aniline
CID 778173
N-(2-ethoxyphenyl)-3-(1H-tetrazol-1-yl)propanamide
CID 1511456
3-chloro-N-[3-methoxy-5-(1H-tetraazol-1-yl)phenyl]propanamide
CID 5064903
N-(4-methoxyphenyl)-3-(1H-tetrazol-1-yl)propanamide
CID 5297255
N-(2,5-dimethoxyphenyl)-2-(1-methyltetrazol-5-yl)sulfanylacetamide
CID 894568
N-(2,5-diethoxy-4-morpholin-4-ylphenyl)-2-(tetrazol-1-yl)acetamide
CID 2477122
N-Phenyl-2-(3-tetrazol-1-yl-phenoxy)-acetamide
CID 856182

Frequently Asked Questions

What is the IUPAC name of N-(2,5-dimethoxyphenyl)-3-(tetrazol-1-yl)propanamide?
The IUPAC name of N-(2,5-dimethoxyphenyl)-3-(tetrazol-1-yl)propanamide (CID 5298020) is N-(2,5-dimethoxyphenyl)-3-(tetrazol-1-yl)propanamide.
What is the SMILES notation for N-(2,5-dimethoxyphenyl)-3-(tetrazol-1-yl)propanamide?
The canonical SMILES for N-(2,5-dimethoxyphenyl)-3-(tetrazol-1-yl)propanamide is COc1ccc(OC)c(NC(=O)CCn2cnnn2)c1.
What is the InChIKey of N-(2,5-dimethoxyphenyl)-3-(tetrazol-1-yl)propanamide?
The InChIKey is JTPPRAQQMJKPIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N5O3/c1-19-9-3-4-11(20-2)10(7-9)14-12(18)5-6-17-8-13-15-16-17/h3-4,7-8H,5-6H2,1-2H3,(H,14,18).
What are the key properties of N-(2,5-dimethoxyphenyl)-3-(tetrazol-1-yl)propanamide?
N-(2,5-dimethoxyphenyl)-3-(tetrazol-1-yl)propanamide has a molecular weight of 277.28 g/mol, XLogP of 0.72, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dimethoxyphenyl)-3-(tetrazol-1-yl)propanamide is sourced from PubChem (CID 5298020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).