N-[[2-ethyl-6-(4-methyl-5-oxotetrazol-1-yl)phenyl]methoxy]propanamide

C14H19N5O3 — CID 130318560

IUPACN-[[2-ethyl-6-(4-methyl-5-oxotetrazol-1-yl)phenyl]methoxy]propanamide
SMILESCCC(=O)NOCc1c(CC)cccc1-n1nnn(C)c1=O
InChIInChI=1S/C14H19N5O3/c1-4-10-7-6-8-12(19-14(21)18(3)16-17-19)11(10)9-22-15-13(20)5-2/h6-8H,4-5,9H2,1-3H3,(H,15,20)
InChIKeySRXDFWWGUIZPKZ-UHFFFAOYSA-N
MW305.34 g/mol
LogP0.49
Rot. Bonds6

About N-[[2-ethyl-6-(4-methyl-5-oxotetrazol-1-yl)phenyl]methoxy]propanamide

N-[[2-ethyl-6-(4-methyl-5-oxotetrazol-1-yl)phenyl]methoxy]propanamide (PubChem CID 130318560) has the molecular formula C14H19N5O3 and a molecular weight of 305.34 g/mol. Its IUPAC name is N-[[2-ethyl-6-(4-methyl-5-oxotetrazol-1-yl)phenyl]methoxy]propanamide.

Molecular Properties

Compound NameN-[[2-ethyl-6-(4-methyl-5-oxotetrazol-1-yl)phenyl]methoxy]propanamide
PubChem CID130318560
Molecular FormulaC14H19N5O3
Molecular Weight305.34 g/mol
Exact Mass305.15
IUPAC NameN-[[2-ethyl-6-(4-methyl-5-oxotetrazol-1-yl)phenyl]methoxy]propanamide
SMILESCCC(=O)NOCc1c(CC)cccc1-n1nnn(C)c1=O
InChIInChI=1S/C14H19N5O3/c1-4-10-7-6-8-12(19-14(21)18(3)16-17-19)11(10)9-22-15-13(20)5-2/h6-8H,4-5,9H2,1-3H3,(H,15,20)
InChIKeySRXDFWWGUIZPKZ-UHFFFAOYSA-N
XLogP0.49
TPSA91.04 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.34
LogP ≤ 50.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[[2-(4-methyl-5-oxotetrazol-1-yl)-6-nitrophenyl]methoxy]propanamide
CID 130318586
methyl N-[[2-iodo-6-(4-methyl-5-oxotetrazol-1-yl)phenyl]methoxy]carbamate
CID 130318574
methyl N-[[2-methoxy-6-(4-methyl-5-oxotetrazol-1-yl)phenyl]methoxy]carbamate
CID 130318263
N-[[2-methyl-6-(4-methyl-5-oxotetrazol-1-yl)phenyl]methoxy]cyclopropanecarboxamide
CID 130318251
1-[3-ethyl-2-(1,3,5-triazin-2-yloxymethyl)phenyl]-4-methyltetrazol-5-one
CID 140707203
1-[3-ethyl-2-(pyridin-4-yloxymethyl)phenyl]-4-methyltetrazol-5-one
CID 140707238
N-[[2-ethynyl-6-(4-methyl-5-oxotetrazol-1-yl)phenyl]methoxy]acetamide
CID 118422289
1-[3-ethyl-2-(pyridin-3-yloxymethyl)phenyl]-4-methyltetrazol-5-one
CID 140707252
1-[3-ethoxy-2-[(2-ethylphenoxy)methyl]phenyl]-4-methyltetrazol-5-one
CID 140804085
1-[3-ethyl-2-(1,3-oxazol-2-yloxymethyl)phenyl]-4-methyltetrazol-5-one
CID 140734483
1-[3-ethyl-2-(1,3-thiazol-2-yloxymethyl)phenyl]-4-methyltetrazol-5-one
CID 140723864
N-[[2-fluoro-6-(5-oxo-1H-tetrazol-4-yl)phenyl]methoxy]propanamide
CID 136997030

Frequently Asked Questions

What is the IUPAC name of N-[[2-ethyl-6-(4-methyl-5-oxotetrazol-1-yl)phenyl]methoxy]propanamide?
The IUPAC name of N-[[2-ethyl-6-(4-methyl-5-oxotetrazol-1-yl)phenyl]methoxy]propanamide (CID 130318560) is N-[[2-ethyl-6-(4-methyl-5-oxotetrazol-1-yl)phenyl]methoxy]propanamide.
What is the SMILES notation for N-[[2-ethyl-6-(4-methyl-5-oxotetrazol-1-yl)phenyl]methoxy]propanamide?
The canonical SMILES for N-[[2-ethyl-6-(4-methyl-5-oxotetrazol-1-yl)phenyl]methoxy]propanamide is CCC(=O)NOCc1c(CC)cccc1-n1nnn(C)c1=O.
What is the InChIKey of N-[[2-ethyl-6-(4-methyl-5-oxotetrazol-1-yl)phenyl]methoxy]propanamide?
The InChIKey is SRXDFWWGUIZPKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5O3/c1-4-10-7-6-8-12(19-14(21)18(3)16-17-19)11(10)9-22-15-13(20)5-2/h6-8H,4-5,9H2,1-3H3,(H,15,20).
What are the key properties of N-[[2-ethyl-6-(4-methyl-5-oxotetrazol-1-yl)phenyl]methoxy]propanamide?
N-[[2-ethyl-6-(4-methyl-5-oxotetrazol-1-yl)phenyl]methoxy]propanamide has a molecular weight of 305.34 g/mol, XLogP of 0.49, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-ethyl-6-(4-methyl-5-oxotetrazol-1-yl)phenyl]methoxy]propanamide is sourced from PubChem (CID 130318560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).