2-(benzotriazol-1-yl)-N-(cyclopropylmethyl)-N-[(4-hydroxyphenyl)methyl]acetamide

C19H20N4O2 — CID 166227374

IUPAC2-(benzotriazol-1-yl)-N-(cyclopropylmethyl)-N-[(4-hydroxyphenyl)methyl]acetamide
SMILESO=C(Cn1nnc2ccccc21)N(Cc1ccc(O)cc1)CC1CC1
InChIInChI=1S/C19H20N4O2/c24-16-9-7-15(8-10-16)12-22(11-14-5-6-14)19(25)13-23-18-4-2-1-3-17(18)20-21-23/h1-4,7-10,14,24H,5-6,11-13H2
InChIKeyZZCLJZYDKGIDDY-UHFFFAOYSA-N
MW336.39 g/mol
LogP2.58
Rot. Bonds6

About 2-(benzotriazol-1-yl)-N-(cyclopropylmethyl)-N-[(4-hydroxyphenyl)methyl]acetamide

2-(benzotriazol-1-yl)-N-(cyclopropylmethyl)-N-[(4-hydroxyphenyl)methyl]acetamide (PubChem CID 166227374) has the molecular formula C19H20N4O2 and a molecular weight of 336.39 g/mol. Its IUPAC name is 2-(benzotriazol-1-yl)-N-(cyclopropylmethyl)-N-[(4-hydroxyphenyl)methyl]acetamide.

Molecular Properties

Compound Name2-(benzotriazol-1-yl)-N-(cyclopropylmethyl)-N-[(4-hydroxyphenyl)methyl]acetamide
PubChem CID166227374
Molecular FormulaC19H20N4O2
Molecular Weight336.39 g/mol
Exact Mass336.16
IUPAC Name2-(benzotriazol-1-yl)-N-(cyclopropylmethyl)-N-[(4-hydroxyphenyl)methyl]acetamide
SMILESO=C(Cn1nnc2ccccc21)N(Cc1ccc(O)cc1)CC1CC1
InChIInChI=1S/C19H20N4O2/c24-16-9-7-15(8-10-16)12-22(11-14-5-6-14)19(25)13-23-18-4-2-1-3-17(18)20-21-23/h1-4,7-10,14,24H,5-6,11-13H2
InChIKeyZZCLJZYDKGIDDY-UHFFFAOYSA-N
XLogP2.58
TPSA71.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.39
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(benzotriazol-1-yl)-N-benzyl-N-ethylacetamide
CID 166191100
2-(benzotriazol-1-yl)-N-[2-(4-methoxyanilino)-2-oxoethyl]-N-[(4-methoxyphenyl)methyl]acetamide
CID 2722754
2-(benzotriazol-1-yl)-1-cyclohexylethanone
CID 115579305
cyclohexyl 2-(benzotriazol-1-yl)acetate
CID 102603743
(2S)-2-[1,3-benzodioxol-5-ylmethyl-[2-(benzotriazol-1-yl)acetyl]amino]-N-cyclohexyl-2-(4-hydroxyphenyl)acetamide
CID 1167221
2-(benzotriazol-1-yl)-N-[2-(cyclohexylamino)-2-oxoethyl]-N-(2-phenylethyl)acetamide
CID 1168165
2-(benzotriazol-1-yl)-N-[2-(dimethylamino)propyl]-N-(thiophen-3-ylmethyl)acetamide
CID 154706314
sodium 2-(benzotriazol-1-yl)acetate
CID 23711121
N-(benzotriazol-1-ylmethyl)-N-benzylbenzamide
CID 3739588
2-[[2-(benzotriazol-1-yl)acetyl]-[(4-methylphenyl)methyl]amino]-N-cyclopentyl-2-thiophen-3-ylacetamide
CID 23991712
(2S)-2-[[2-(benzotriazol-1-yl)acetyl]-(thiophen-2-ylmethyl)amino]-N-cyclohexyl-2-(4-hydroxyphenyl)acetamide
CID 1167243
N-(cyclopropylmethyl)-N-[(4-hydroxyphenyl)methyl]-2-(1,2-oxazol-3-yl)acetamide
CID 75384527

Frequently Asked Questions

What is the IUPAC name of 2-(benzotriazol-1-yl)-N-(cyclopropylmethyl)-N-[(4-hydroxyphenyl)methyl]acetamide?
The IUPAC name of 2-(benzotriazol-1-yl)-N-(cyclopropylmethyl)-N-[(4-hydroxyphenyl)methyl]acetamide (CID 166227374) is 2-(benzotriazol-1-yl)-N-(cyclopropylmethyl)-N-[(4-hydroxyphenyl)methyl]acetamide.
What is the SMILES notation for 2-(benzotriazol-1-yl)-N-(cyclopropylmethyl)-N-[(4-hydroxyphenyl)methyl]acetamide?
The canonical SMILES for 2-(benzotriazol-1-yl)-N-(cyclopropylmethyl)-N-[(4-hydroxyphenyl)methyl]acetamide is O=C(Cn1nnc2ccccc21)N(Cc1ccc(O)cc1)CC1CC1.
What is the InChIKey of 2-(benzotriazol-1-yl)-N-(cyclopropylmethyl)-N-[(4-hydroxyphenyl)methyl]acetamide?
The InChIKey is ZZCLJZYDKGIDDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O2/c24-16-9-7-15(8-10-16)12-22(11-14-5-6-14)19(25)13-23-18-4-2-1-3-17(18)20-21-23/h1-4,7-10,14,24H,5-6,11-13H2.
What are the key properties of 2-(benzotriazol-1-yl)-N-(cyclopropylmethyl)-N-[(4-hydroxyphenyl)methyl]acetamide?
2-(benzotriazol-1-yl)-N-(cyclopropylmethyl)-N-[(4-hydroxyphenyl)methyl]acetamide has a molecular weight of 336.39 g/mol, XLogP of 2.58, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzotriazol-1-yl)-N-(cyclopropylmethyl)-N-[(4-hydroxyphenyl)methyl]acetamide is sourced from PubChem (CID 166227374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).