2-(benzotriazol-1-yl)-N-(furan-2-ylmethyl)-N-(4-methylphenyl)acetamide

C20H18N4O2 — CID 51189023

IUPAC2-(benzotriazol-1-yl)-N-(furan-2-ylmethyl)-N-(4-methylphenyl)acetamide
SMILESCc1ccc(N(Cc2ccco2)C(=O)Cn2nnc3ccccc32)cc1
InChIInChI=1S/C20H18N4O2/c1-15-8-10-16(11-9-15)23(13-17-5-4-12-26-17)20(25)14-24-19-7-3-2-6-18(19)21-22-24/h2-12H,13-14H2,1H3
InChIKeyNKIJIAKANSDIDS-UHFFFAOYSA-N
MW346.39 g/mol
LogP3.57
Rot. Bonds5

About 2-(benzotriazol-1-yl)-N-(furan-2-ylmethyl)-N-(4-methylphenyl)acetamide

2-(benzotriazol-1-yl)-N-(furan-2-ylmethyl)-N-(4-methylphenyl)acetamide (PubChem CID 51189023) has the molecular formula C20H18N4O2 and a molecular weight of 346.39 g/mol. Its IUPAC name is 2-(benzotriazol-1-yl)-N-(furan-2-ylmethyl)-N-(4-methylphenyl)acetamide.

Molecular Properties

Compound Name2-(benzotriazol-1-yl)-N-(furan-2-ylmethyl)-N-(4-methylphenyl)acetamide
PubChem CID51189023
Molecular FormulaC20H18N4O2
Molecular Weight346.39 g/mol
Exact Mass346.14
IUPAC Name2-(benzotriazol-1-yl)-N-(furan-2-ylmethyl)-N-(4-methylphenyl)acetamide
SMILESCc1ccc(N(Cc2ccco2)C(=O)Cn2nnc3ccccc32)cc1
InChIInChI=1S/C20H18N4O2/c1-15-8-10-16(11-9-15)23(13-17-5-4-12-26-17)20(25)14-24-19-7-3-2-6-18(19)21-22-24/h2-12H,13-14H2,1H3
InChIKeyNKIJIAKANSDIDS-UHFFFAOYSA-N
XLogP3.57
TPSA64.16 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.39
LogP ≤ 53.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-2-(N-[2-(benzotriazol-1-yl)acetyl]-4-methylanilino)-2-(furan-2-yl)-N-(furan-2-ylmethyl)acetamide
CID 1439846
N-(furan-2-ylmethyl)-N-(4-methylphenyl)-2-(5-phenyltetrazol-2-yl)acetamide
CID 134011749
2-(N-[2-(benzotriazol-1-yl)acetyl]-4-methylanilino)-2-(4-fluorophenyl)-N-(furan-2-ylmethyl)acetamide
CID 3206316
N-(furan-2-ylmethyl)-N-(4-methylphenyl)butanamide
CID 60528113
2-[4-[[2-(benzotriazol-1-yl)acetyl]-[(3,5-difluorophenyl)methyl]amino]phenyl]acetamide
CID 171770212
(2R)-2-(N-[2-(benzotriazol-1-yl)acetyl]-3-fluoroanilino)-N-(furan-2-ylmethyl)-2-(4-methylphenyl)acetamide
CID 1465820
N-(furan-2-ylmethyl)-N-(4-methylphenyl)-2-(2-oxoazocan-1-yl)acetamide
CID 55756275
2-(N-[2-(benzotriazol-1-yl)acetyl]-4-fluoroanilino)-N-(furan-2-ylmethyl)-2-(5-methylfuran-2-yl)acetamide
CID 3856753
(2S)-2-[[2-(benzotriazol-1-yl)acetyl]-(furan-2-ylmethyl)amino]-N-(furan-2-ylmethyl)-2-thiophen-2-ylacetamide
CID 1439872
2-[[2-(benzotriazol-1-yl)acetyl]-(furan-2-ylmethyl)amino]-N-(furan-2-ylmethyl)-2-pyridin-4-ylacetamide
CID 3206245
(2S)-2-(N-[2-(benzotriazol-1-yl)acetyl]-3,5-dimethylanilino)-N-(furan-2-ylmethyl)-2-pyridin-3-ylacetamide
CID 1439975
2-[[2-(benzotriazol-1-yl)acetyl]-(furan-2-ylmethyl)amino]-N-(2-methylbutan-2-yl)-2-thiophen-2-ylacetamide
CID 3198900

Frequently Asked Questions

What is the IUPAC name of 2-(benzotriazol-1-yl)-N-(furan-2-ylmethyl)-N-(4-methylphenyl)acetamide?
The IUPAC name of 2-(benzotriazol-1-yl)-N-(furan-2-ylmethyl)-N-(4-methylphenyl)acetamide (CID 51189023) is 2-(benzotriazol-1-yl)-N-(furan-2-ylmethyl)-N-(4-methylphenyl)acetamide.
What is the SMILES notation for 2-(benzotriazol-1-yl)-N-(furan-2-ylmethyl)-N-(4-methylphenyl)acetamide?
The canonical SMILES for 2-(benzotriazol-1-yl)-N-(furan-2-ylmethyl)-N-(4-methylphenyl)acetamide is Cc1ccc(N(Cc2ccco2)C(=O)Cn2nnc3ccccc32)cc1.
What is the InChIKey of 2-(benzotriazol-1-yl)-N-(furan-2-ylmethyl)-N-(4-methylphenyl)acetamide?
The InChIKey is NKIJIAKANSDIDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N4O2/c1-15-8-10-16(11-9-15)23(13-17-5-4-12-26-17)20(25)14-24-19-7-3-2-6-18(19)21-22-24/h2-12H,13-14H2,1H3.
What are the key properties of 2-(benzotriazol-1-yl)-N-(furan-2-ylmethyl)-N-(4-methylphenyl)acetamide?
2-(benzotriazol-1-yl)-N-(furan-2-ylmethyl)-N-(4-methylphenyl)acetamide has a molecular weight of 346.39 g/mol, XLogP of 3.57, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzotriazol-1-yl)-N-(furan-2-ylmethyl)-N-(4-methylphenyl)acetamide is sourced from PubChem (CID 51189023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).