N-tert-butyl-2-[2-methoxy-6-[(1,2,4-triazol-4-ylamino)methyl]phenoxy]acetamide

C16H23N5O3 — CID 17057784

IUPACN-tert-butyl-2-[2-methoxy-6-[(1,2,4-triazol-4-ylamino)methyl]phenoxy]acetamide
SMILESCOc1cccc(CNn2cnnc2)c1OCC(=O)NC(C)(C)C
InChIInChI=1S/C16H23N5O3/c1-16(2,3)20-14(22)9-24-15-12(6-5-7-13(15)23-4)8-19-21-10-17-18-11-21/h5-7,10-11,19H,8-9H2,1-4H3,(H,20,22)
InChIKeyPOQQUDFABCJXSD-UHFFFAOYSA-N
MW333.39 g/mol
LogP1.32
Rot. Bonds7

About N-tert-butyl-2-[2-methoxy-6-[(1,2,4-triazol-4-ylamino)methyl]phenoxy]acetamide

N-tert-butyl-2-[2-methoxy-6-[(1,2,4-triazol-4-ylamino)methyl]phenoxy]acetamide (PubChem CID 17057784) has the molecular formula C16H23N5O3 and a molecular weight of 333.39 g/mol. Its IUPAC name is N-tert-butyl-2-[2-methoxy-6-[(1,2,4-triazol-4-ylamino)methyl]phenoxy]acetamide.

Molecular Properties

Compound NameN-tert-butyl-2-[2-methoxy-6-[(1,2,4-triazol-4-ylamino)methyl]phenoxy]acetamide
PubChem CID17057784
Molecular FormulaC16H23N5O3
Molecular Weight333.39 g/mol
Exact Mass333.18
IUPAC NameN-tert-butyl-2-[2-methoxy-6-[(1,2,4-triazol-4-ylamino)methyl]phenoxy]acetamide
SMILESCOc1cccc(CNn2cnnc2)c1OCC(=O)NC(C)(C)C
InChIInChI=1S/C16H23N5O3/c1-16(2,3)20-14(22)9-24-15-12(6-5-7-13(15)23-4)8-19-21-10-17-18-11-21/h5-7,10-11,19H,8-9H2,1-4H3,(H,20,22)
InChIKeyPOQQUDFABCJXSD-UHFFFAOYSA-N
XLogP1.32
TPSA90.30 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.39
LogP ≤ 51.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-tert-butyl-2-[2-[[(1-hydroxy-2-methylpropan-2-yl)amino]methyl]-6-methoxyphenoxy]acetamide
CID 17053395
N-tert-butyl-2-[2-[[(1-hydroxy-2-methylpropan-2-yl)amino]methyl]-6-methoxyphenoxy]acetamide;hydrochloride
CID 17053394
N-tert-butyl-2-[2-methoxy-6-[[(1-methyltetrazol-5-yl)amino]methyl]phenoxy]acetamide
CID 17057628
N-tert-butyl-2-[2-(butylaminomethyl)-6-methoxyphenoxy]acetamide
CID 6472728
N-tert-butyl-2-[2-methoxy-6-[(prop-2-enylamino)methyl]phenoxy]acetamide
CID 6471852
N-tert-butyl-2-[2-[(cyclooctylamino)methyl]-6-methoxyphenoxy]acetamide
CID 17053479
N-tert-butyl-2-[2-methoxy-6-[[2-(4-methoxyphenyl)ethylamino]methyl]phenoxy]acetamide
CID 17053447
2-[2-methoxy-6-(methylaminomethyl)phenoxy]-N-(2-methylbutan-2-yl)acetamide
CID 61486522
N-tert-butyl-2-(2-methoxyphenoxy)acetamide
CID 922262
N-tert-butyl-2-[2-methoxy-6-[(2-morpholin-4-ylethylamino)methyl]phenoxy]acetamide;dihydrochloride
CID 17053452
methyl 2-[2-[(tert-butylamino)methyl]-6-methoxyphenoxy]acetate
CID 63057770
3-[2-[(tert-butylamino)methyl]-6-methoxyphenoxy]propanamide
CID 63056770

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-[2-methoxy-6-[(1,2,4-triazol-4-ylamino)methyl]phenoxy]acetamide?
The IUPAC name of N-tert-butyl-2-[2-methoxy-6-[(1,2,4-triazol-4-ylamino)methyl]phenoxy]acetamide (CID 17057784) is N-tert-butyl-2-[2-methoxy-6-[(1,2,4-triazol-4-ylamino)methyl]phenoxy]acetamide.
What is the SMILES notation for N-tert-butyl-2-[2-methoxy-6-[(1,2,4-triazol-4-ylamino)methyl]phenoxy]acetamide?
The canonical SMILES for N-tert-butyl-2-[2-methoxy-6-[(1,2,4-triazol-4-ylamino)methyl]phenoxy]acetamide is COc1cccc(CNn2cnnc2)c1OCC(=O)NC(C)(C)C.
What is the InChIKey of N-tert-butyl-2-[2-methoxy-6-[(1,2,4-triazol-4-ylamino)methyl]phenoxy]acetamide?
The InChIKey is POQQUDFABCJXSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N5O3/c1-16(2,3)20-14(22)9-24-15-12(6-5-7-13(15)23-4)8-19-21-10-17-18-11-21/h5-7,10-11,19H,8-9H2,1-4H3,(H,20,22).
What are the key properties of N-tert-butyl-2-[2-methoxy-6-[(1,2,4-triazol-4-ylamino)methyl]phenoxy]acetamide?
N-tert-butyl-2-[2-methoxy-6-[(1,2,4-triazol-4-ylamino)methyl]phenoxy]acetamide has a molecular weight of 333.39 g/mol, XLogP of 1.32, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-[2-methoxy-6-[(1,2,4-triazol-4-ylamino)methyl]phenoxy]acetamide is sourced from PubChem (CID 17057784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).