N-[3-[[5-(2-methoxyphenyl)-1H-1,2,4-triazol-3-yl]amino]-3-oxopropyl]-2,2-dimethylpropanamide

C17H23N5O3 — CID 49196261

IUPACN-[3-[[5-(2-methoxyphenyl)-1H-1,2,4-triazol-3-yl]amino]-3-oxopropyl]-2,2-dimethylpropanamide
SMILESCOc1ccccc1-c1nc(NC(=O)CCNC(=O)C(C)(C)C)n[nH]1
InChIInChI=1S/C17H23N5O3/c1-17(2,3)15(24)18-10-9-13(23)19-16-20-14(21-22-16)11-7-5-6-8-12(11)25-4/h5-8H,9-10H2,1-4H3,(H,18,24)(H2,19,20,21,22,23)
InChIKeyKKXAKETYZFZQOX-UHFFFAOYSA-N
MW345.40 g/mol
LogP1.97
Rot. Bonds6

About N-[3-[[5-(2-methoxyphenyl)-1H-1,2,4-triazol-3-yl]amino]-3-oxopropyl]-2,2-dimethylpropanamide

N-[3-[[5-(2-methoxyphenyl)-1H-1,2,4-triazol-3-yl]amino]-3-oxopropyl]-2,2-dimethylpropanamide (PubChem CID 49196261) has the molecular formula C17H23N5O3 and a molecular weight of 345.40 g/mol. Its IUPAC name is N-[3-[[5-(2-methoxyphenyl)-1H-1,2,4-triazol-3-yl]amino]-3-oxopropyl]-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-[3-[[5-(2-methoxyphenyl)-1H-1,2,4-triazol-3-yl]amino]-3-oxopropyl]-2,2-dimethylpropanamide
PubChem CID49196261
Molecular FormulaC17H23N5O3
Molecular Weight345.40 g/mol
Exact Mass345.18
IUPAC NameN-[3-[[5-(2-methoxyphenyl)-1H-1,2,4-triazol-3-yl]amino]-3-oxopropyl]-2,2-dimethylpropanamide
SMILESCOc1ccccc1-c1nc(NC(=O)CCNC(=O)C(C)(C)C)n[nH]1
InChIInChI=1S/C17H23N5O3/c1-17(2,3)15(24)18-10-9-13(23)19-16-20-14(21-22-16)11-7-5-6-8-12(11)25-4/h5-8H,9-10H2,1-4H3,(H,18,24)(H2,19,20,21,22,23)
InChIKeyKKXAKETYZFZQOX-UHFFFAOYSA-N
XLogP1.97
TPSA109.00 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.40
LogP ≤ 51.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-[5-(2-methoxyphenyl)-1H-1,2,4-triazol-3-yl]-2-phenylmethoxyacetamide
CID 60510860
2-(2,6-dimethylphenoxy)-N-[5-(2-methoxyphenyl)-1H-1,2,4-triazol-3-yl]acetamide
CID 55646062
N-[5-(2-methoxyphenyl)-1H-1,2,4-triazol-3-yl]-2-methyl-2-(2-methylpropylsulfonyl)propanamide
CID 54772185
(E)-N-[2-[[5-(2-methoxyphenyl)-1H-1,2,4-triazol-3-yl]amino]-2-oxoethyl]-3-phenylprop-2-enamide
CID 55850056
N-[5-(2-methoxyphenyl)-1H-1,2,4-triazol-3-yl]-3-(1-methylindol-3-yl)propanamide
CID 71709200
3-chloro-N-[2-[[5-(2-methoxyphenyl)-1H-1,2,4-triazol-3-yl]amino]-2-oxoethyl]benzamide
CID 55850055
3-[3-(4-ethoxyphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]-N-[5-(2-methoxyphenyl)-1H-1,2,4-triazol-3-yl]propanamide
CID 55849926
5-chloro-2-fluoro-N-[5-(2-methoxyphenyl)-1H-1,2,4-triazol-3-yl]benzamide
CID 86980358
N-[5-(2-methoxyphenyl)-1H-1,2,4-triazol-3-yl]-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole-2-carboxamide
CID 166235076
N-[2-(2-methoxyphenyl)ethyl]-2,2-dimethylpropanamide
CID 15179102
N-[3-(3-methoxyanilino)-3-oxopropyl]-2,2-dimethylpropanamide
CID 18154986
2-(cyclopropylamino)-N-[5-(2-methoxyphenyl)-1H-1,2,4-triazol-3-yl]-1,3-thiazole-4-carboxamide
CID 71702488

Frequently Asked Questions

What is the IUPAC name of N-[3-[[5-(2-methoxyphenyl)-1H-1,2,4-triazol-3-yl]amino]-3-oxopropyl]-2,2-dimethylpropanamide?
The IUPAC name of N-[3-[[5-(2-methoxyphenyl)-1H-1,2,4-triazol-3-yl]amino]-3-oxopropyl]-2,2-dimethylpropanamide (CID 49196261) is N-[3-[[5-(2-methoxyphenyl)-1H-1,2,4-triazol-3-yl]amino]-3-oxopropyl]-2,2-dimethylpropanamide.
What is the SMILES notation for N-[3-[[5-(2-methoxyphenyl)-1H-1,2,4-triazol-3-yl]amino]-3-oxopropyl]-2,2-dimethylpropanamide?
The canonical SMILES for N-[3-[[5-(2-methoxyphenyl)-1H-1,2,4-triazol-3-yl]amino]-3-oxopropyl]-2,2-dimethylpropanamide is COc1ccccc1-c1nc(NC(=O)CCNC(=O)C(C)(C)C)n[nH]1.
What is the InChIKey of N-[3-[[5-(2-methoxyphenyl)-1H-1,2,4-triazol-3-yl]amino]-3-oxopropyl]-2,2-dimethylpropanamide?
The InChIKey is KKXAKETYZFZQOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N5O3/c1-17(2,3)15(24)18-10-9-13(23)19-16-20-14(21-22-16)11-7-5-6-8-12(11)25-4/h5-8H,9-10H2,1-4H3,(H,18,24)(H2,19,20,21,22,23).
What are the key properties of N-[3-[[5-(2-methoxyphenyl)-1H-1,2,4-triazol-3-yl]amino]-3-oxopropyl]-2,2-dimethylpropanamide?
N-[3-[[5-(2-methoxyphenyl)-1H-1,2,4-triazol-3-yl]amino]-3-oxopropyl]-2,2-dimethylpropanamide has a molecular weight of 345.40 g/mol, XLogP of 1.97, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[5-(2-methoxyphenyl)-1H-1,2,4-triazol-3-yl]amino]-3-oxopropyl]-2,2-dimethylpropanamide is sourced from PubChem (CID 49196261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).