N-[(5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)methyl]-2-(3-methoxyphenoxy)acetamide

C16H20N4O3 — CID 75447582

IUPACN-[(5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)methyl]-2-(3-methoxyphenoxy)acetamide
SMILESCOc1cccc(OCC(=O)NCc2nnc(C3CC3)n2C)c1
InChIInChI=1S/C16H20N4O3/c1-20-14(18-19-16(20)11-6-7-11)9-17-15(21)10-23-13-5-3-4-12(8-13)22-2/h3-5,8,11H,6-7,9-10H2,1-2H3,(H,17,21)
InChIKeyQNCICJBGXVEOJN-UHFFFAOYSA-N
MW316.36 g/mol
LogP1.40
Rot. Bonds7

About N-[(5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)methyl]-2-(3-methoxyphenoxy)acetamide

N-[(5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)methyl]-2-(3-methoxyphenoxy)acetamide (PubChem CID 75447582) has the molecular formula C16H20N4O3 and a molecular weight of 316.36 g/mol. Its IUPAC name is N-[(5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)methyl]-2-(3-methoxyphenoxy)acetamide.

Molecular Properties

Compound NameN-[(5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)methyl]-2-(3-methoxyphenoxy)acetamide
PubChem CID75447582
Molecular FormulaC16H20N4O3
Molecular Weight316.36 g/mol
Exact Mass316.15
IUPAC NameN-[(5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)methyl]-2-(3-methoxyphenoxy)acetamide
SMILESCOc1cccc(OCC(=O)NCc2nnc(C3CC3)n2C)c1
InChIInChI=1S/C16H20N4O3/c1-20-14(18-19-16(20)11-6-7-11)9-17-15(21)10-23-13-5-3-4-12(8-13)22-2/h3-5,8,11H,6-7,9-10H2,1-2H3,(H,17,21)
InChIKeyQNCICJBGXVEOJN-UHFFFAOYSA-N
XLogP1.40
TPSA78.27 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.36
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(3-methoxyphenoxy)-N-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl]acetamide
CID 16867656
N-[(2S)-2-cyclohexyl-2-hydroxyethyl]-2-(3-methoxyphenoxy)acetamide
CID 95983036
2-(3-methoxyphenoxy)-N-propan-2-ylacetamide
CID 4149029
2-(3-methoxyphenoxy)-N-[(1-methyl-5-pyridin-4-ylpyrazol-3-yl)methyl]acetamide
CID 90555028
2-(3-methoxyphenoxy)-N-prop-2-enylacetamide
CID 19204009
methyl 3-[[2-(3-methoxyphenoxy)acetyl]amino]propanoate
CID 82018109
2-(3-ethoxyphenoxy)-N-[(4-methoxyphenyl)methyl]acetamide
CID 112977714
2-(3-methoxyphenoxy)-N-pentylacetamide
CID 19204008
2-(3-methoxyphenoxy)-N-(1-methoxypropan-2-yl)acetamide
CID 78760764
tert-butyl N-[4-[4-methyl-5-[(3-methylphenoxy)methyl]-1,2,4-triazol-3-yl]cyclohexyl]carbamate
CID 138484984
1-[[[2-(3-methoxyphenoxy)acetyl]amino]methyl]cyclohexane-1-carboxylic acid
CID 120544351
N-[[4-(diethylamino)phenyl]methyl]-2-(3-methoxyphenoxy)acetamide
CID 94614124

Frequently Asked Questions

What is the IUPAC name of N-[(5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)methyl]-2-(3-methoxyphenoxy)acetamide?
The IUPAC name of N-[(5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)methyl]-2-(3-methoxyphenoxy)acetamide (CID 75447582) is N-[(5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)methyl]-2-(3-methoxyphenoxy)acetamide.
What is the SMILES notation for N-[(5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)methyl]-2-(3-methoxyphenoxy)acetamide?
The canonical SMILES for N-[(5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)methyl]-2-(3-methoxyphenoxy)acetamide is COc1cccc(OCC(=O)NCc2nnc(C3CC3)n2C)c1.
What is the InChIKey of N-[(5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)methyl]-2-(3-methoxyphenoxy)acetamide?
The InChIKey is QNCICJBGXVEOJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O3/c1-20-14(18-19-16(20)11-6-7-11)9-17-15(21)10-23-13-5-3-4-12(8-13)22-2/h3-5,8,11H,6-7,9-10H2,1-2H3,(H,17,21).
What are the key properties of N-[(5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)methyl]-2-(3-methoxyphenoxy)acetamide?
N-[(5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)methyl]-2-(3-methoxyphenoxy)acetamide has a molecular weight of 316.36 g/mol, XLogP of 1.40, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)methyl]-2-(3-methoxyphenoxy)acetamide is sourced from PubChem (CID 75447582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).