N-tert-butyl-2-[2-ethoxy-4-[(1H-1,2,4-triazol-5-ylamino)methyl]phenoxy]acetamide

C17H25N5O3 — CID 2200299

IUPACN-tert-butyl-2-[2-ethoxy-4-[(1H-1,2,4-triazol-5-ylamino)methyl]phenoxy]acetamide
SMILESCCOc1cc(CNc2ncn[nH]2)ccc1OCC(=O)NC(C)(C)C
InChIInChI=1S/C17H25N5O3/c1-5-24-14-8-12(9-18-16-19-11-20-22-16)6-7-13(14)25-10-15(23)21-17(2,3)4/h6-8,11H,5,9-10H2,1-4H3,(H,21,23)(H2,18,19,20,22)
InChIKeyUCIHJAILXPGRFQ-UHFFFAOYSA-N
MW347.42 g/mol
LogP2.11
Rot. Bonds8

About N-tert-butyl-2-[2-ethoxy-4-[(1H-1,2,4-triazol-5-ylamino)methyl]phenoxy]acetamide

N-tert-butyl-2-[2-ethoxy-4-[(1H-1,2,4-triazol-5-ylamino)methyl]phenoxy]acetamide (PubChem CID 2200299) has the molecular formula C17H25N5O3 and a molecular weight of 347.42 g/mol. Its IUPAC name is N-tert-butyl-2-[2-ethoxy-4-[(1H-1,2,4-triazol-5-ylamino)methyl]phenoxy]acetamide.

Molecular Properties

Compound NameN-tert-butyl-2-[2-ethoxy-4-[(1H-1,2,4-triazol-5-ylamino)methyl]phenoxy]acetamide
PubChem CID2200299
Molecular FormulaC17H25N5O3
Molecular Weight347.42 g/mol
Exact Mass347.20
IUPAC NameN-tert-butyl-2-[2-ethoxy-4-[(1H-1,2,4-triazol-5-ylamino)methyl]phenoxy]acetamide
SMILESCCOc1cc(CNc2ncn[nH]2)ccc1OCC(=O)NC(C)(C)C
InChIInChI=1S/C17H25N5O3/c1-5-24-14-8-12(9-18-16-19-11-20-22-16)6-7-13(14)25-10-15(23)21-17(2,3)4/h6-8,11H,5,9-10H2,1-4H3,(H,21,23)(H2,18,19,20,22)
InChIKeyUCIHJAILXPGRFQ-UHFFFAOYSA-N
XLogP2.11
TPSA101.16 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.42
LogP ≤ 52.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze N-tert-butyl-2-[2-ethoxy-4-[(1H-1,2,4-triazol-5-ylamino)methyl]phenoxy]acetamide with MolForge

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Related Compounds

N-{3-methoxy-4-[(3-methylbenzyl)oxy]benzyl}-1H-1,2,4-triazol-3-amine
CID 834667
N-{3-methoxy-4-[(2-methylbenzyl)oxy]benzyl}-1H-1,2,4-triazol-3-amine
CID 834669
N-(3,4-dimethoxybenzyl)-2-(1H-1,2,4-triazol-1-yl)acetamide
CID 1485773
N-cyclohexyl-2-{2-methoxy-4-[(4H-1,2,4-triazol-4-ylamino)methyl]phenoxy}acetamide
CID 979530
N-tert-butyl-2-{4-[(1H-1,2,4-triazol-3-ylamino)methyl]phenoxy}acetamide
CID 962363
2-(4-{[(5-amino-1H-tetrazol-1-yl)amino]methyl}-2-methoxyphenoxy)-N-(tert-butyl)acetamide
CID 834094
N-cyclohexyl-2-{2-ethoxy-4-[(4H-1,2,4-triazol-4-ylamino)methyl]phenoxy}acetamide
CID 1017572
(2-Allyloxy-3-ethoxy-benzyl)-(1H-[1,2,4]triazol-3-yl)-amine
CID 2212990
N-tert-butyl-2-[2-methoxy-4-[(1H-1,2,4-triazol-5-ylamino)methyl]phenoxy]acetamide
CID 834091
N-tert-Butyl-2-[2-methoxy-4-([1,2,4]triazol-4-ylaminomethyl)-phenoxy]-acetamide
CID 834090
N-tert-Butyl-2-[2-chloro-6-ethoxy-4-([1,2,4]triazol-4-ylaminomethyl)-phenoxy]-acetamide
CID 1017337
(2-Allyloxy-3-methoxy-benzyl)-(1H-[1,2,4]triazol-3-yl)-amine
CID 2215585

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-[2-ethoxy-4-[(1H-1,2,4-triazol-5-ylamino)methyl]phenoxy]acetamide?
The IUPAC name of N-tert-butyl-2-[2-ethoxy-4-[(1H-1,2,4-triazol-5-ylamino)methyl]phenoxy]acetamide (CID 2200299) is N-tert-butyl-2-[2-ethoxy-4-[(1H-1,2,4-triazol-5-ylamino)methyl]phenoxy]acetamide.
What is the SMILES notation for N-tert-butyl-2-[2-ethoxy-4-[(1H-1,2,4-triazol-5-ylamino)methyl]phenoxy]acetamide?
The canonical SMILES for N-tert-butyl-2-[2-ethoxy-4-[(1H-1,2,4-triazol-5-ylamino)methyl]phenoxy]acetamide is CCOc1cc(CNc2ncn[nH]2)ccc1OCC(=O)NC(C)(C)C.
What is the InChIKey of N-tert-butyl-2-[2-ethoxy-4-[(1H-1,2,4-triazol-5-ylamino)methyl]phenoxy]acetamide?
The InChIKey is UCIHJAILXPGRFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N5O3/c1-5-24-14-8-12(9-18-16-19-11-20-22-16)6-7-13(14)25-10-15(23)21-17(2,3)4/h6-8,11H,5,9-10H2,1-4H3,(H,21,23)(H2,18,19,20,22).
What are the key properties of N-tert-butyl-2-[2-ethoxy-4-[(1H-1,2,4-triazol-5-ylamino)methyl]phenoxy]acetamide?
N-tert-butyl-2-[2-ethoxy-4-[(1H-1,2,4-triazol-5-ylamino)methyl]phenoxy]acetamide has a molecular weight of 347.42 g/mol, XLogP of 2.11, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-[2-ethoxy-4-[(1H-1,2,4-triazol-5-ylamino)methyl]phenoxy]acetamide is sourced from PubChem (CID 2200299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).