N-(furan-2-ylmethyl)-1-[(4-methoxyphenyl)methyl]benzotriazole-5-carboxamide

C20H18N4O3 — CID 53111173

IUPACN-(furan-2-ylmethyl)-1-[(4-methoxyphenyl)methyl]benzotriazole-5-carboxamide
SMILESCOc1ccc(Cn2nnc3cc(C(=O)NCc4ccco4)ccc32)cc1
InChIInChI=1S/C20H18N4O3/c1-26-16-7-4-14(5-8-16)13-24-19-9-6-15(11-18(19)22-23-24)20(25)21-12-17-3-2-10-27-17/h2-11H,12-13H2,1H3,(H,21,25)
InChIKeyBWVXGGIICYFTRO-UHFFFAOYSA-N
MW362.39 g/mol
LogP3.01
Rot. Bonds6

About N-(furan-2-ylmethyl)-1-[(4-methoxyphenyl)methyl]benzotriazole-5-carboxamide

N-(furan-2-ylmethyl)-1-[(4-methoxyphenyl)methyl]benzotriazole-5-carboxamide (PubChem CID 53111173) has the molecular formula C20H18N4O3 and a molecular weight of 362.39 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-1-[(4-methoxyphenyl)methyl]benzotriazole-5-carboxamide.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-1-[(4-methoxyphenyl)methyl]benzotriazole-5-carboxamide
PubChem CID53111173
Molecular FormulaC20H18N4O3
Molecular Weight362.39 g/mol
Exact Mass362.14
IUPAC NameN-(furan-2-ylmethyl)-1-[(4-methoxyphenyl)methyl]benzotriazole-5-carboxamide
SMILESCOc1ccc(Cn2nnc3cc(C(=O)NCc4ccco4)ccc32)cc1
InChIInChI=1S/C20H18N4O3/c1-26-16-7-4-14(5-8-16)13-24-19-9-6-15(11-18(19)22-23-24)20(25)21-12-17-3-2-10-27-17/h2-11H,12-13H2,1H3,(H,21,25)
InChIKeyBWVXGGIICYFTRO-UHFFFAOYSA-N
XLogP3.01
TPSA82.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.39
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-[(4-methoxyphenyl)methyl]-N-[(4-methylphenyl)methyl]benzotriazole-5-carboxamide
CID 53111176
N-[(4-methoxyphenyl)methyl]-1-[(4-methylphenyl)methyl]benzotriazole-5-carboxamide
CID 53111468
1-[(4-methoxyphenyl)methyl]-N-[(2-methylphenyl)methyl]benzotriazole-5-carboxamide
CID 53085070
1-benzyl-N-[(3,4-dimethoxyphenyl)methyl]benzotriazole-5-carboxamide
CID 53085114
N-(4-acetylphenyl)-1-[(4-methoxyphenyl)methyl]benzotriazole-5-carboxamide
CID 53111154
N-(2-ethylphenyl)-1-[(4-methoxyphenyl)methyl]benzotriazole-5-carboxamide
CID 53111169
1-[(4-methoxyphenyl)methyl]-N-(3-piperidin-1-ylpropyl)benzotriazole-5-carboxamide
CID 53111224
4-(benzotriazol-1-ylmethyl)-N-[(3-methoxyphenyl)methyl]benzamide
CID 9088195
N-(furan-2-ylmethyl)-3-[(4-methoxyphenyl)methyl]-2,4-dioxo-1H-quinazoline-7-carboxamide
CID 15995150
1-[(3-methoxyphenyl)methyl]-N-(pyridin-2-ylmethyl)benzotriazole-5-carboxamide
CID 53199623
N-(furan-2-ylmethyl)-3-[[2-[(4-methoxyphenyl)methylamino]acetyl]amino]benzamide
CID 54837825
4-N-(furan-2-ylmethyl)-2-N-(4-methoxyphenyl)pyridine-2,4-dicarboxamide
CID 109085096

Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-1-[(4-methoxyphenyl)methyl]benzotriazole-5-carboxamide?
The IUPAC name of N-(furan-2-ylmethyl)-1-[(4-methoxyphenyl)methyl]benzotriazole-5-carboxamide (CID 53111173) is N-(furan-2-ylmethyl)-1-[(4-methoxyphenyl)methyl]benzotriazole-5-carboxamide.
What is the SMILES notation for N-(furan-2-ylmethyl)-1-[(4-methoxyphenyl)methyl]benzotriazole-5-carboxamide?
The canonical SMILES for N-(furan-2-ylmethyl)-1-[(4-methoxyphenyl)methyl]benzotriazole-5-carboxamide is COc1ccc(Cn2nnc3cc(C(=O)NCc4ccco4)ccc32)cc1.
What is the InChIKey of N-(furan-2-ylmethyl)-1-[(4-methoxyphenyl)methyl]benzotriazole-5-carboxamide?
The InChIKey is BWVXGGIICYFTRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N4O3/c1-26-16-7-4-14(5-8-16)13-24-19-9-6-15(11-18(19)22-23-24)20(25)21-12-17-3-2-10-27-17/h2-11H,12-13H2,1H3,(H,21,25).
What are the key properties of N-(furan-2-ylmethyl)-1-[(4-methoxyphenyl)methyl]benzotriazole-5-carboxamide?
N-(furan-2-ylmethyl)-1-[(4-methoxyphenyl)methyl]benzotriazole-5-carboxamide has a molecular weight of 362.39 g/mol, XLogP of 3.01, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-1-[(4-methoxyphenyl)methyl]benzotriazole-5-carboxamide is sourced from PubChem (CID 53111173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).