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

C18H25N5O3 — CID 979530

IUPACN-cyclohexyl-2-[2-methoxy-4-[(1,2,4-triazol-4-ylamino)methyl]phenoxy]acetamide
SMILESCOc1cc(CNn2cnnc2)ccc1OCC(=O)NC1CCCCC1
InChIInChI=1S/C18H25N5O3/c1-25-17-9-14(10-21-23-12-19-20-13-23)7-8-16(17)26-11-18(24)22-15-5-3-2-4-6-15/h7-9,12-13,15,21H,2-6,10-11H2,1H3,(H,22,24)
InChIKeyYVLGDTYDTAZMEF-UHFFFAOYSA-N
MW359.43 g/mol
LogP1.86
Rot. Bonds8

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

N-cyclohexyl-2-[2-methoxy-4-[(1,2,4-triazol-4-ylamino)methyl]phenoxy]acetamide (PubChem CID 979530) has the molecular formula C18H25N5O3 and a molecular weight of 359.43 g/mol. Its IUPAC name is N-cyclohexyl-2-[2-methoxy-4-[(1,2,4-triazol-4-ylamino)methyl]phenoxy]acetamide.

Molecular Properties

Compound NameN-cyclohexyl-2-[2-methoxy-4-[(1,2,4-triazol-4-ylamino)methyl]phenoxy]acetamide
PubChem CID979530
Molecular FormulaC18H25N5O3
Molecular Weight359.43 g/mol
Exact Mass359.20
IUPAC NameN-cyclohexyl-2-[2-methoxy-4-[(1,2,4-triazol-4-ylamino)methyl]phenoxy]acetamide
SMILESCOc1cc(CNn2cnnc2)ccc1OCC(=O)NC1CCCCC1
InChIInChI=1S/C18H25N5O3/c1-25-17-9-14(10-21-23-12-19-20-13-23)7-8-16(17)26-11-18(24)22-15-5-3-2-4-6-15/h7-9,12-13,15,21H,2-6,10-11H2,1H3,(H,22,24)
InChIKeyYVLGDTYDTAZMEF-UHFFFAOYSA-N
XLogP1.86
TPSA90.30 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.43
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-(3,4-dimethoxybenzyl)-2-(1H-1,2,4-triazol-1-yl)acetamide
CID 1485773
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
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-methoxy-4-[(1,2,4-triazol-4-ylamino)methyl]phenoxy]acetamide?
The IUPAC name of N-cyclohexyl-2-[2-methoxy-4-[(1,2,4-triazol-4-ylamino)methyl]phenoxy]acetamide (CID 979530) is N-cyclohexyl-2-[2-methoxy-4-[(1,2,4-triazol-4-ylamino)methyl]phenoxy]acetamide.
What is the SMILES notation for N-cyclohexyl-2-[2-methoxy-4-[(1,2,4-triazol-4-ylamino)methyl]phenoxy]acetamide?
The canonical SMILES for N-cyclohexyl-2-[2-methoxy-4-[(1,2,4-triazol-4-ylamino)methyl]phenoxy]acetamide is COc1cc(CNn2cnnc2)ccc1OCC(=O)NC1CCCCC1.
What is the InChIKey of N-cyclohexyl-2-[2-methoxy-4-[(1,2,4-triazol-4-ylamino)methyl]phenoxy]acetamide?
The InChIKey is YVLGDTYDTAZMEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N5O3/c1-25-17-9-14(10-21-23-12-19-20-13-23)7-8-16(17)26-11-18(24)22-15-5-3-2-4-6-15/h7-9,12-13,15,21H,2-6,10-11H2,1H3,(H,22,24).
What are the key properties of N-cyclohexyl-2-[2-methoxy-4-[(1,2,4-triazol-4-ylamino)methyl]phenoxy]acetamide?
N-cyclohexyl-2-[2-methoxy-4-[(1,2,4-triazol-4-ylamino)methyl]phenoxy]acetamide has a molecular weight of 359.43 g/mol, XLogP of 1.86, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-2-[2-methoxy-4-[(1,2,4-triazol-4-ylamino)methyl]phenoxy]acetamide is sourced from PubChem (CID 979530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).