2-(diethylamino)-N-[[1-(4-methoxyphenyl)triazol-4-yl]methyl]acetamide

C16H23N5O2 — CID 51050540

IUPAC2-(diethylamino)-N-[[1-(4-methoxyphenyl)triazol-4-yl]methyl]acetamide
SMILESCCN(CC)CC(=O)NCc1cn(-c2ccc(OC)cc2)nn1
InChIInChI=1S/C16H23N5O2/c1-4-20(5-2)12-16(22)17-10-13-11-21(19-18-13)14-6-8-15(23-3)9-7-14/h6-9,11H,4-5,10,12H2,1-3H3,(H,17,22)
InChIKeyYUCVXPCVSAEMCW-UHFFFAOYSA-N
MW317.39 g/mol
LogP1.23
Rot. Bonds8

About 2-(diethylamino)-N-[[1-(4-methoxyphenyl)triazol-4-yl]methyl]acetamide

2-(diethylamino)-N-[[1-(4-methoxyphenyl)triazol-4-yl]methyl]acetamide (PubChem CID 51050540) has the molecular formula C16H23N5O2 and a molecular weight of 317.39 g/mol. Its IUPAC name is 2-(diethylamino)-N-[[1-(4-methoxyphenyl)triazol-4-yl]methyl]acetamide.

Molecular Properties

Compound Name2-(diethylamino)-N-[[1-(4-methoxyphenyl)triazol-4-yl]methyl]acetamide
PubChem CID51050540
Molecular FormulaC16H23N5O2
Molecular Weight317.39 g/mol
Exact Mass317.19
IUPAC Name2-(diethylamino)-N-[[1-(4-methoxyphenyl)triazol-4-yl]methyl]acetamide
SMILESCCN(CC)CC(=O)NCc1cn(-c2ccc(OC)cc2)nn1
InChIInChI=1S/C16H23N5O2/c1-4-20(5-2)12-16(22)17-10-13-11-21(19-18-13)14-6-8-15(23-3)9-7-14/h6-9,11H,4-5,10,12H2,1-3H3,(H,17,22)
InChIKeyYUCVXPCVSAEMCW-UHFFFAOYSA-N
XLogP1.23
TPSA72.28 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.39
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(4-methoxyphenyl)-1-[3-(1H-pyrazol-1-yl)propanoyl]-3-piperidinamine
CID 24816914
(2S)-N-hydroxy-2-[[1-(2-methoxyphenyl)triazol-4-yl]methylcarbamoylamino]-4-methylpentanamide
CID 155520273
(2S)-N-hydroxy-2-[[1-(4-methoxyphenyl)triazol-4-yl]methylcarbamoylamino]-4-methylpentanamide
CID 155524942
(2S)-2-[[2-[4-(2-aminophenyl)triazol-1-yl]acetyl]amino]-N-(4-methoxyphenyl)-N-methyl-3-phenyl-propanamide
CID 141758690
N-(3-fluoro-4-methoxyphenyl)-1H-1,2,3-triazole-5-carboxamide
CID 47339147
4-(Difluoromethyl)-1-(4-methoxyphenyl)triazole
CID 16074340
2-[4-[(4-methoxyphenoxy)methyl]triazol-1-yl]-N-phenylacetamide
CID 100830469
N-(2-Cyclohexyl-1,5-dimethyl-3-oxo-2,3-dihydro-1H-pyrazol-4-yl)-1-(4-methoxyphenyl)-5-methyl-1H-1,2,3-triazole-4-carboxamide
CID 118513278
[1-(4-Methoxyphenyl)triazol-4-yl]methyl acetate
CID 11413946
N-cyclopentyl-1-(4-methoxyphenyl)-5-propyl-1H-1,2,3-triazole-4-carboxamide
CID 17015496
2-[(S)-1-(dimethylamino)-2-(N-p-trifluoromethoxyphenylcarbamoylcarbonylamino)ethyl]-1-methylpyrrole
CID 42265310
N1-(2-(1-methyl-1H-pyrrol-2-yl)-2-(pyrrolidin-1-yl)ethyl)-N2-(4-(trifluoromethoxy)phenyl)oxalamide
CID 44059198

Frequently Asked Questions

What is the IUPAC name of 2-(diethylamino)-N-[[1-(4-methoxyphenyl)triazol-4-yl]methyl]acetamide?
The IUPAC name of 2-(diethylamino)-N-[[1-(4-methoxyphenyl)triazol-4-yl]methyl]acetamide (CID 51050540) is 2-(diethylamino)-N-[[1-(4-methoxyphenyl)triazol-4-yl]methyl]acetamide.
What is the SMILES notation for 2-(diethylamino)-N-[[1-(4-methoxyphenyl)triazol-4-yl]methyl]acetamide?
The canonical SMILES for 2-(diethylamino)-N-[[1-(4-methoxyphenyl)triazol-4-yl]methyl]acetamide is CCN(CC)CC(=O)NCc1cn(-c2ccc(OC)cc2)nn1.
What is the InChIKey of 2-(diethylamino)-N-[[1-(4-methoxyphenyl)triazol-4-yl]methyl]acetamide?
The InChIKey is YUCVXPCVSAEMCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N5O2/c1-4-20(5-2)12-16(22)17-10-13-11-21(19-18-13)14-6-8-15(23-3)9-7-14/h6-9,11H,4-5,10,12H2,1-3H3,(H,17,22).
What are the key properties of 2-(diethylamino)-N-[[1-(4-methoxyphenyl)triazol-4-yl]methyl]acetamide?
2-(diethylamino)-N-[[1-(4-methoxyphenyl)triazol-4-yl]methyl]acetamide has a molecular weight of 317.39 g/mol, XLogP of 1.23, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(diethylamino)-N-[[1-(4-methoxyphenyl)triazol-4-yl]methyl]acetamide is sourced from PubChem (CID 51050540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).