2-[[2-(benzotriazol-1-yl)acetyl]-butylamino]-N-(furan-2-ylmethyl)-2-(3-methoxyphenyl)acetamide

C26H29N5O4 — CID 3206294

IUPAC2-[[2-(benzotriazol-1-yl)acetyl]-butylamino]-N-(furan-2-ylmethyl)-2-(3-methoxyphenyl)acetamide
SMILESCCCCN(C(=O)Cn1nnc2ccccc21)C(C(=O)NCc1ccco1)c1cccc(OC)c1
InChIInChI=1S/C26H29N5O4/c1-3-4-14-30(24(32)18-31-23-13-6-5-12-22(23)28-29-31)25(19-9-7-10-20(16-19)34-2)26(33)27-17-21-11-8-15-35-21/h5-13,15-16,25H,3-4,14,17-18H2,1-2H3,(H,27,33)
InChIKeyVYBHUMMIEIDQLP-UHFFFAOYSA-N
MW475.55 g/mol
LogP3.72
Rot. Bonds11

About 2-[[2-(benzotriazol-1-yl)acetyl]-butylamino]-N-(furan-2-ylmethyl)-2-(3-methoxyphenyl)acetamide

2-[[2-(benzotriazol-1-yl)acetyl]-butylamino]-N-(furan-2-ylmethyl)-2-(3-methoxyphenyl)acetamide (PubChem CID 3206294) has the molecular formula C26H29N5O4 and a molecular weight of 475.55 g/mol. Its IUPAC name is 2-[[2-(benzotriazol-1-yl)acetyl]-butylamino]-N-(furan-2-ylmethyl)-2-(3-methoxyphenyl)acetamide.

Molecular Properties

Compound Name2-[[2-(benzotriazol-1-yl)acetyl]-butylamino]-N-(furan-2-ylmethyl)-2-(3-methoxyphenyl)acetamide
PubChem CID3206294
Molecular FormulaC26H29N5O4
Molecular Weight475.55 g/mol
Exact Mass475.22
IUPAC Name2-[[2-(benzotriazol-1-yl)acetyl]-butylamino]-N-(furan-2-ylmethyl)-2-(3-methoxyphenyl)acetamide
SMILESCCCCN(C(=O)Cn1nnc2ccccc21)C(C(=O)NCc1ccco1)c1cccc(OC)c1
InChIInChI=1S/C26H29N5O4/c1-3-4-14-30(24(32)18-31-23-13-6-5-12-22(23)28-29-31)25(19-9-7-10-20(16-19)34-2)26(33)27-17-21-11-8-15-35-21/h5-13,15-16,25H,3-4,14,17-18H2,1-2H3,(H,27,33)
InChIKeyVYBHUMMIEIDQLP-UHFFFAOYSA-N
XLogP3.72
TPSA102.49 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds11
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.55
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-[[2-(benzotriazol-1-yl)acetyl]-butylamino]-2-(2-fluorophenyl)-N-(furan-2-ylmethyl)acetamide
CID 3206266
(2S)-2-[[2-(benzotriazol-1-yl)acetyl]-propan-2-ylamino]-N-(furan-2-ylmethyl)-2-(4-methoxyphenyl)acetamide
CID 1465766
(2R)-2-[[2-(benzotriazol-1-yl)acetyl]-(2-morpholin-4-ylethyl)amino]-N-benzyl-2-(3-methoxyphenyl)acetamide
CID 1175318
(2R)-2-[[2-(benzotriazol-1-yl)acetyl]-propan-2-ylamino]-N-(furan-2-ylmethyl)-2-phenylacetamide
CID 1465835
(2S)-2-[[2-(benzotriazol-1-yl)acetyl]-(thiophen-2-ylmethyl)amino]-2-(3,4-dimethoxyphenyl)-N-(furan-2-ylmethyl)acetamide
CID 98105419
(2R)-2-[[2-(benzotriazol-1-yl)acetyl]-(thiophen-2-ylmethyl)amino]-2-(3,4-dimethoxyphenyl)-N-(furan-2-ylmethyl)acetamide
CID 98105420
2-[[2-(benzotriazol-1-yl)acetyl]-(furan-2-ylmethyl)amino]-N-(furan-2-ylmethyl)-2-pyridin-4-ylacetamide
CID 3206245
(2R)-2-[[2-(benzotriazol-1-yl)acetyl]-propan-2-ylamino]-2-(2,5-dimethoxyphenyl)-N-(furan-2-ylmethyl)acetamide
CID 1465751
2-[[2-(benzotriazol-1-yl)acetyl]-butylamino]-N-(2-methoxyethyl)-2-pyridin-4-ylacetamide
CID 4231503
2-[[2-(benzotriazol-1-yl)acetyl]-(pyridin-3-ylmethyl)amino]-N-(furan-2-ylmethyl)-2-phenylacetamide
CID 654038
2-[[2-(benzotriazol-1-yl)acetyl]-(2-morpholin-4-ylethyl)amino]-2-(3-methoxyphenyl)-N-(2-methylbutan-2-yl)acetamide
CID 3196207
(2S)-2-[[2-(benzotriazol-1-yl)acetyl]-cyclopropylamino]-2-(2,4-dimethoxyphenyl)-N-(furan-2-ylmethyl)acetamide
CID 1465744

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(benzotriazol-1-yl)acetyl]-butylamino]-N-(furan-2-ylmethyl)-2-(3-methoxyphenyl)acetamide?
The IUPAC name of 2-[[2-(benzotriazol-1-yl)acetyl]-butylamino]-N-(furan-2-ylmethyl)-2-(3-methoxyphenyl)acetamide (CID 3206294) is 2-[[2-(benzotriazol-1-yl)acetyl]-butylamino]-N-(furan-2-ylmethyl)-2-(3-methoxyphenyl)acetamide.
What is the SMILES notation for 2-[[2-(benzotriazol-1-yl)acetyl]-butylamino]-N-(furan-2-ylmethyl)-2-(3-methoxyphenyl)acetamide?
The canonical SMILES for 2-[[2-(benzotriazol-1-yl)acetyl]-butylamino]-N-(furan-2-ylmethyl)-2-(3-methoxyphenyl)acetamide is CCCCN(C(=O)Cn1nnc2ccccc21)C(C(=O)NCc1ccco1)c1cccc(OC)c1.
What is the InChIKey of 2-[[2-(benzotriazol-1-yl)acetyl]-butylamino]-N-(furan-2-ylmethyl)-2-(3-methoxyphenyl)acetamide?
The InChIKey is VYBHUMMIEIDQLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29N5O4/c1-3-4-14-30(24(32)18-31-23-13-6-5-12-22(23)28-29-31)25(19-9-7-10-20(16-19)34-2)26(33)27-17-21-11-8-15-35-21/h5-13,15-16,25H,3-4,14,17-18H2,1-2H3,(H,27,33).
What are the key properties of 2-[[2-(benzotriazol-1-yl)acetyl]-butylamino]-N-(furan-2-ylmethyl)-2-(3-methoxyphenyl)acetamide?
2-[[2-(benzotriazol-1-yl)acetyl]-butylamino]-N-(furan-2-ylmethyl)-2-(3-methoxyphenyl)acetamide has a molecular weight of 475.55 g/mol, XLogP of 3.72, 11 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(benzotriazol-1-yl)acetyl]-butylamino]-N-(furan-2-ylmethyl)-2-(3-methoxyphenyl)acetamide is sourced from PubChem (CID 3206294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).