2-[2-methoxy-4-[[(1-prop-2-enyltetrazol-5-yl)amino]methyl]phenoxy]acetamide

C14H18N6O3 — CID 4726459

IUPAC2-[2-methoxy-4-[[(1-prop-2-enyltetrazol-5-yl)amino]methyl]phenoxy]acetamide
SMILESC=CCn1nnnc1NCc1ccc(OCC(N)=O)c(OC)c1
InChIInChI=1S/C14H18N6O3/c1-3-6-20-14(17-18-19-20)16-8-10-4-5-11(12(7-10)22-2)23-9-13(15)21/h3-5,7H,1,6,8-9H2,2H3,(H2,15,21)(H,16,17,19)
InChIKeyFRQTTWUXHSYJTO-UHFFFAOYSA-N
MW318.34 g/mol
LogP0.34
Rot. Bonds9

About 2-[2-methoxy-4-[[(1-prop-2-enyltetrazol-5-yl)amino]methyl]phenoxy]acetamide

2-[2-methoxy-4-[[(1-prop-2-enyltetrazol-5-yl)amino]methyl]phenoxy]acetamide (PubChem CID 4726459) has the molecular formula C14H18N6O3 and a molecular weight of 318.34 g/mol. Its IUPAC name is 2-[2-methoxy-4-[[(1-prop-2-enyltetrazol-5-yl)amino]methyl]phenoxy]acetamide.

Molecular Properties

Compound Name2-[2-methoxy-4-[[(1-prop-2-enyltetrazol-5-yl)amino]methyl]phenoxy]acetamide
PubChem CID4726459
Molecular FormulaC14H18N6O3
Molecular Weight318.34 g/mol
Exact Mass318.14
IUPAC Name2-[2-methoxy-4-[[(1-prop-2-enyltetrazol-5-yl)amino]methyl]phenoxy]acetamide
SMILESC=CCn1nnnc1NCc1ccc(OCC(N)=O)c(OC)c1
InChIInChI=1S/C14H18N6O3/c1-3-6-20-14(17-18-19-20)16-8-10-4-5-11(12(7-10)22-2)23-9-13(15)21/h3-5,7H,1,6,8-9H2,2H3,(H2,15,21)(H,16,17,19)
InChIKeyFRQTTWUXHSYJTO-UHFFFAOYSA-N
XLogP0.34
TPSA117.18 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.34
LogP ≤ 50.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

N-[(4-methoxyphenyl)methyl]-1-prop-2-enyltetrazol-5-amine
CID 4726685
N-[[3-chloro-4-[(4-chlorophenyl)methoxy]-5-methoxyphenyl]methyl]-1-prop-2-enyltetrazol-5-amine
CID 4726583
2-[4-[(iodoamino)methyl]-2-methoxyphenoxy]acetamide
CID 129301598
2-[4-(anilinomethyl)-2-methoxyphenoxy]acetamide
CID 961527
N-[[2-chloro-4-[(4-chlorophenyl)methoxy]-5-methoxyphenyl]methyl]-1-prop-2-enyltetrazol-5-amine
CID 66539665
N-[(3-chloro-5-ethoxy-4-methoxyphenyl)methyl]-1-prop-2-enyltetrazol-5-amine
CID 4726668
4-(2-amino-2-oxoethoxy)-N-[(3,4-dimethoxyphenyl)methyl]-3-methoxybenzamide
CID 9082611
2-[4-[[(3,5-dimethylphenyl)methylamino]methyl]-2-methoxyphenoxy]acetamide
CID 56820860
2-[2-methoxy-4-(propylaminomethyl)phenoxy]acetamide;hydrochloride
CID 17290875
2-[2-methoxy-4-[(prop-2-ynylamino)methyl]phenoxy]acetamide
CID 94074154
N-[[4-[(3,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methyl]-1-propyltetrazol-5-amine
CID 4725619
3-[[4-(2-amino-2-oxoethoxy)-3-methoxyphenyl]methylamino]propanoic acid
CID 102536557

Frequently Asked Questions

What is the IUPAC name of 2-[2-methoxy-4-[[(1-prop-2-enyltetrazol-5-yl)amino]methyl]phenoxy]acetamide?
The IUPAC name of 2-[2-methoxy-4-[[(1-prop-2-enyltetrazol-5-yl)amino]methyl]phenoxy]acetamide (CID 4726459) is 2-[2-methoxy-4-[[(1-prop-2-enyltetrazol-5-yl)amino]methyl]phenoxy]acetamide.
What is the SMILES notation for 2-[2-methoxy-4-[[(1-prop-2-enyltetrazol-5-yl)amino]methyl]phenoxy]acetamide?
The canonical SMILES for 2-[2-methoxy-4-[[(1-prop-2-enyltetrazol-5-yl)amino]methyl]phenoxy]acetamide is C=CCn1nnnc1NCc1ccc(OCC(N)=O)c(OC)c1.
What is the InChIKey of 2-[2-methoxy-4-[[(1-prop-2-enyltetrazol-5-yl)amino]methyl]phenoxy]acetamide?
The InChIKey is FRQTTWUXHSYJTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N6O3/c1-3-6-20-14(17-18-19-20)16-8-10-4-5-11(12(7-10)22-2)23-9-13(15)21/h3-5,7H,1,6,8-9H2,2H3,(H2,15,21)(H,16,17,19).
What are the key properties of 2-[2-methoxy-4-[[(1-prop-2-enyltetrazol-5-yl)amino]methyl]phenoxy]acetamide?
2-[2-methoxy-4-[[(1-prop-2-enyltetrazol-5-yl)amino]methyl]phenoxy]acetamide has a molecular weight of 318.34 g/mol, XLogP of 0.34, 9 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-methoxy-4-[[(1-prop-2-enyltetrazol-5-yl)amino]methyl]phenoxy]acetamide is sourced from PubChem (CID 4726459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).