N-cyclohexyl-2-[2-ethoxy-4-[(1,2,4-triazol-4-ylamino)methyl]phenoxy]acetamide

C19H27N5O3 — CID 1017572

IUPACN-cyclohexyl-2-[2-ethoxy-4-[(1,2,4-triazol-4-ylamino)methyl]phenoxy]acetamide
SMILESCCOc1cc(CNn2cnnc2)ccc1OCC(=O)NC1CCCCC1
InChIInChI=1S/C19H27N5O3/c1-2-26-18-10-15(11-22-24-13-20-21-14-24)8-9-17(18)27-12-19(25)23-16-6-4-3-5-7-16/h8-10,13-14,16,22H,2-7,11-12H2,1H3,(H,23,25)
InChIKeyGOWIVYDFCGLRAX-UHFFFAOYSA-N
MW373.46 g/mol
LogP2.25
Rot. Bonds9

About N-cyclohexyl-2-[2-ethoxy-4-[(1,2,4-triazol-4-ylamino)methyl]phenoxy]acetamide

N-cyclohexyl-2-[2-ethoxy-4-[(1,2,4-triazol-4-ylamino)methyl]phenoxy]acetamide (PubChem CID 1017572) has the molecular formula C19H27N5O3 and a molecular weight of 373.46 g/mol. Its IUPAC name is N-cyclohexyl-2-[2-ethoxy-4-[(1,2,4-triazol-4-ylamino)methyl]phenoxy]acetamide.

Molecular Properties

Compound NameN-cyclohexyl-2-[2-ethoxy-4-[(1,2,4-triazol-4-ylamino)methyl]phenoxy]acetamide
PubChem CID1017572
Molecular FormulaC19H27N5O3
Molecular Weight373.46 g/mol
Exact Mass373.21
IUPAC NameN-cyclohexyl-2-[2-ethoxy-4-[(1,2,4-triazol-4-ylamino)methyl]phenoxy]acetamide
SMILESCCOc1cc(CNn2cnnc2)ccc1OCC(=O)NC1CCCCC1
InChIInChI=1S/C19H27N5O3/c1-2-26-18-10-15(11-22-24-13-20-21-14-24)8-9-17(18)27-12-19(25)23-16-6-4-3-5-7-16/h8-10,13-14,16,22H,2-7,11-12H2,1H3,(H,23,25)
InChIKeyGOWIVYDFCGLRAX-UHFFFAOYSA-N
XLogP2.25
TPSA90.30 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.46
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze N-cyclohexyl-2-[2-ethoxy-4-[(1,2,4-triazol-4-ylamino)methyl]phenoxy]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

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
rac-N-(1-(2,3-dihydrobenzo[b][1,4]dioxin-6-yl)-3-phenylpropyl)-2-(1H-1,2,4-triazol-1-yl)acetamide
CID 46958302
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
N-[2-(benzyloxy)-3-ethoxybenzyl]-4H-1,2,4-triazol-4-amine
CID 892189
N-tert-butyl-2-[2-ethoxy-4-[(2H-tetrazol-5-ylamino)methyl]phenoxy]acetamide
CID 964347
N-(tert-butyl)-2-[2-methoxy-4-({4-[(1H-1,2,4-triazol-5-ylamino)methyl]anilino}methyl)phenoxy]acetamide
CID 979428
2-(4-{[(5-amino-1H-tetraazol-1-yl)amino]methyl}-2-ethoxyphenoxy)-N-(tert-butyl)acetamide
CID 1017334

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-2-[2-ethoxy-4-[(1,2,4-triazol-4-ylamino)methyl]phenoxy]acetamide?
The IUPAC name of N-cyclohexyl-2-[2-ethoxy-4-[(1,2,4-triazol-4-ylamino)methyl]phenoxy]acetamide (CID 1017572) is N-cyclohexyl-2-[2-ethoxy-4-[(1,2,4-triazol-4-ylamino)methyl]phenoxy]acetamide.
What is the SMILES notation for N-cyclohexyl-2-[2-ethoxy-4-[(1,2,4-triazol-4-ylamino)methyl]phenoxy]acetamide?
The canonical SMILES for N-cyclohexyl-2-[2-ethoxy-4-[(1,2,4-triazol-4-ylamino)methyl]phenoxy]acetamide is CCOc1cc(CNn2cnnc2)ccc1OCC(=O)NC1CCCCC1.
What is the InChIKey of N-cyclohexyl-2-[2-ethoxy-4-[(1,2,4-triazol-4-ylamino)methyl]phenoxy]acetamide?
The InChIKey is GOWIVYDFCGLRAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N5O3/c1-2-26-18-10-15(11-22-24-13-20-21-14-24)8-9-17(18)27-12-19(25)23-16-6-4-3-5-7-16/h8-10,13-14,16,22H,2-7,11-12H2,1H3,(H,23,25).
What are the key properties of N-cyclohexyl-2-[2-ethoxy-4-[(1,2,4-triazol-4-ylamino)methyl]phenoxy]acetamide?
N-cyclohexyl-2-[2-ethoxy-4-[(1,2,4-triazol-4-ylamino)methyl]phenoxy]acetamide has a molecular weight of 373.46 g/mol, XLogP of 2.25, 9 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-2-[2-ethoxy-4-[(1,2,4-triazol-4-ylamino)methyl]phenoxy]acetamide is sourced from PubChem (CID 1017572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).