N-[(2-ethoxyphenyl)methyl]-1-propan-2-ylbenzotriazole-5-carboxamide

C19H22N4O2 — CID 53051647

IUPACN-[(2-ethoxyphenyl)methyl]-1-propan-2-ylbenzotriazole-5-carboxamide
SMILESCCOc1ccccc1CNC(=O)c1ccc2c(c1)nnn2C(C)C
InChIInChI=1S/C19H22N4O2/c1-4-25-18-8-6-5-7-15(18)12-20-19(24)14-9-10-17-16(11-14)21-22-23(17)13(2)3/h5-11,13H,4,12H2,1-3H3,(H,20,24)
InChIKeyFTDKCLSTHBVKFT-UHFFFAOYSA-N
MW338.41 g/mol
LogP3.34
Rot. Bonds6

About N-[(2-ethoxyphenyl)methyl]-1-propan-2-ylbenzotriazole-5-carboxamide

N-[(2-ethoxyphenyl)methyl]-1-propan-2-ylbenzotriazole-5-carboxamide (PubChem CID 53051647) has the molecular formula C19H22N4O2 and a molecular weight of 338.41 g/mol. Its IUPAC name is N-[(2-ethoxyphenyl)methyl]-1-propan-2-ylbenzotriazole-5-carboxamide.

Molecular Properties

Compound NameN-[(2-ethoxyphenyl)methyl]-1-propan-2-ylbenzotriazole-5-carboxamide
PubChem CID53051647
Molecular FormulaC19H22N4O2
Molecular Weight338.41 g/mol
Exact Mass338.17
IUPAC NameN-[(2-ethoxyphenyl)methyl]-1-propan-2-ylbenzotriazole-5-carboxamide
SMILESCCOc1ccccc1CNC(=O)c1ccc2c(c1)nnn2C(C)C
InChIInChI=1S/C19H22N4O2/c1-4-25-18-8-6-5-7-15(18)12-20-19(24)14-9-10-17-16(11-14)21-22-23(17)13(2)3/h5-11,13H,4,12H2,1-3H3,(H,20,24)
InChIKeyFTDKCLSTHBVKFT-UHFFFAOYSA-N
XLogP3.34
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.41
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3,4-diethoxy-N-[(2-ethoxyphenyl)methyl]benzamide
CID 71822422
N-[(2-ethoxy-3-pyridinyl)methyl]-1-ethylbenzotriazole-5-carboxamide
CID 30832500
N-[(2-ethoxyphenyl)methyl]-3-methoxy-4-methylbenzamide
CID 60565957
N-[(2-ethoxyphenyl)methyl]-6-methylpyridine-3-carboxamide
CID 47367776
N-[(2-ethoxyphenyl)methyl]-5-methyl-4-oxopyrazolo[1,5-a]quinoxaline-7-carboxamide
CID 53186550
N-[(2-chlorophenyl)methyl]-1-(2-ethoxyphenyl)benzimidazole-5-carboxamide
CID 4278606
N-[(2-ethoxyphenyl)methyl]-4-piperidin-1-ylquinazoline-6-carboxamide
CID 71842381
N-[(2-ethoxyphenyl)methyl]-2-[(2-fluorophenyl)methyl]-1,3-benzoxazole-6-carboxamide
CID 53089639
N-(2-fluorophenyl)-1-propan-2-ylbenzotriazole-5-carboxamide
CID 53051599
N-[(2-ethoxyphenyl)methyl]-4-methyl-3-nitrobenzamide
CID 53279519
N-(4-fluorophenyl)-1-propan-2-ylbenzotriazole-5-carboxamide
CID 53051601
3-acetamido-N-[(2-ethoxyphenyl)methyl]-4-(4-fluorophenyl)sulfanylbenzamide
CID 4291445

Frequently Asked Questions

What is the IUPAC name of N-[(2-ethoxyphenyl)methyl]-1-propan-2-ylbenzotriazole-5-carboxamide?
The IUPAC name of N-[(2-ethoxyphenyl)methyl]-1-propan-2-ylbenzotriazole-5-carboxamide (CID 53051647) is N-[(2-ethoxyphenyl)methyl]-1-propan-2-ylbenzotriazole-5-carboxamide.
What is the SMILES notation for N-[(2-ethoxyphenyl)methyl]-1-propan-2-ylbenzotriazole-5-carboxamide?
The canonical SMILES for N-[(2-ethoxyphenyl)methyl]-1-propan-2-ylbenzotriazole-5-carboxamide is CCOc1ccccc1CNC(=O)c1ccc2c(c1)nnn2C(C)C.
What is the InChIKey of N-[(2-ethoxyphenyl)methyl]-1-propan-2-ylbenzotriazole-5-carboxamide?
The InChIKey is FTDKCLSTHBVKFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O2/c1-4-25-18-8-6-5-7-15(18)12-20-19(24)14-9-10-17-16(11-14)21-22-23(17)13(2)3/h5-11,13H,4,12H2,1-3H3,(H,20,24).
What are the key properties of N-[(2-ethoxyphenyl)methyl]-1-propan-2-ylbenzotriazole-5-carboxamide?
N-[(2-ethoxyphenyl)methyl]-1-propan-2-ylbenzotriazole-5-carboxamide has a molecular weight of 338.41 g/mol, XLogP of 3.34, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-ethoxyphenyl)methyl]-1-propan-2-ylbenzotriazole-5-carboxamide is sourced from PubChem (CID 53051647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).