N-[2-(benzylamino)-2-oxoethyl]-N-(2,3-dimethylphenyl)-2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetamide

C25H26N6O3 — CID 649774

IUPACN-[2-(benzylamino)-2-oxoethyl]-N-(2,3-dimethylphenyl)-2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetamide
SMILESCc1ccc(-c2nnn(CC(=O)N(CC(=O)NCc3ccccc3)c3cccc(C)c3C)n2)o1
InChIInChI=1S/C25H26N6O3/c1-17-8-7-11-21(19(17)3)30(15-23(32)26-14-20-9-5-4-6-10-20)24(33)16-31-28-25(27-29-31)22-13-12-18(2)34-22/h4-13H,14-16H2,1-3H3,(H,26,32)
InChIKeyJWYVUVCXGGLFAI-UHFFFAOYSA-N
MW458.52 g/mol
LogP3.21
Rot. Bonds8

About N-[2-(benzylamino)-2-oxoethyl]-N-(2,3-dimethylphenyl)-2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetamide

N-[2-(benzylamino)-2-oxoethyl]-N-(2,3-dimethylphenyl)-2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetamide (PubChem CID 649774) has the molecular formula C25H26N6O3 and a molecular weight of 458.52 g/mol. Its IUPAC name is N-[2-(benzylamino)-2-oxoethyl]-N-(2,3-dimethylphenyl)-2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetamide.

Molecular Properties

Compound NameN-[2-(benzylamino)-2-oxoethyl]-N-(2,3-dimethylphenyl)-2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetamide
PubChem CID649774
Molecular FormulaC25H26N6O3
Molecular Weight458.52 g/mol
Exact Mass458.21
IUPAC NameN-[2-(benzylamino)-2-oxoethyl]-N-(2,3-dimethylphenyl)-2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetamide
SMILESCc1ccc(-c2nnn(CC(=O)N(CC(=O)NCc3ccccc3)c3cccc(C)c3C)n2)o1
InChIInChI=1S/C25H26N6O3/c1-17-8-7-11-21(19(17)3)30(15-23(32)26-14-20-9-5-4-6-10-20)24(33)16-31-28-25(27-29-31)22-13-12-18(2)34-22/h4-13H,14-16H2,1-3H3,(H,26,32)
InChIKeyJWYVUVCXGGLFAI-UHFFFAOYSA-N
XLogP3.21
TPSA106.15 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.52
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[2-(2-{[(Furan-2-ylmethyl)-carbamoyl]-methyl}-2H-tetrazol-5-yl)-phenyl]-4-methoxy-benzamide
CID 644789
2-((2-Methoxy-phenyl)-{2-[5-(5-methyl-furan-2-yl)-tetrazol-2-yl]-acetyl}-amino)-pentanoic acid cyclopentylamide
CID 647713
Furan-2-carboxylic acid [2-(2-phenylcarbamoylmethyl-2H-tetrazol-5-yl)-phenyl]-amide
CID 648033
N-(tert-Butylcarbamoyl-methyl)-N-(2-methoxy-phenyl)-2-[5-(5-methyl-furan-2-yl)-tetrazol-2-yl]-acetamide
CID 648211
2-Fluoro-N-[2-(2-{[(furan-2-ylmethyl)-carbamoyl]-methyl}-2H-tetrazol-5-yl)-phenyl]-benzamide
CID 648374
Furan-2-carboxylic acid [2-(2-cyclohexylcarbamoylmethyl-2H-tetrazol-5-yl)-phenyl]-amide
CID 649082
Furan-2-carboxylic acid (2-{2-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxo-ethyl]-2H-tetrazol-5-yl}-phenyl)-amide
CID 651026
N-[2-[2-[2-(4-methoxyanilino)-2-oxoethyl]-5-tetrazolyl]phenyl]-2-furancarboxamide
CID 653728
Furan-2-carboxylic acid (2-{2-[(2-methoxy-phenylcarbamoyl)-methyl]-2H-tetrazol-5-yl}-phenyl)-amide
CID 654743
N-[2-(cyclohexylamino)-2-oxoethyl]-2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]-N-(3-methylphenyl)acetamide
CID 1153911
N-[2-(cyclohexylamino)-2-oxoethyl]-2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]-N-(4-methylphenyl)acetamide
CID 1153917
N-[4-[2-[2-(furan-2-ylmethylamino)-2-oxoethyl]tetrazol-5-yl]phenyl]-3-methylbutanamide
CID 1440069

Frequently Asked Questions

What is the IUPAC name of N-[2-(benzylamino)-2-oxoethyl]-N-(2,3-dimethylphenyl)-2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetamide?
The IUPAC name of N-[2-(benzylamino)-2-oxoethyl]-N-(2,3-dimethylphenyl)-2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetamide (CID 649774) is N-[2-(benzylamino)-2-oxoethyl]-N-(2,3-dimethylphenyl)-2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetamide.
What is the SMILES notation for N-[2-(benzylamino)-2-oxoethyl]-N-(2,3-dimethylphenyl)-2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetamide?
The canonical SMILES for N-[2-(benzylamino)-2-oxoethyl]-N-(2,3-dimethylphenyl)-2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetamide is Cc1ccc(-c2nnn(CC(=O)N(CC(=O)NCc3ccccc3)c3cccc(C)c3C)n2)o1.
What is the InChIKey of N-[2-(benzylamino)-2-oxoethyl]-N-(2,3-dimethylphenyl)-2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetamide?
The InChIKey is JWYVUVCXGGLFAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N6O3/c1-17-8-7-11-21(19(17)3)30(15-23(32)26-14-20-9-5-4-6-10-20)24(33)16-31-28-25(27-29-31)22-13-12-18(2)34-22/h4-13H,14-16H2,1-3H3,(H,26,32).
What are the key properties of N-[2-(benzylamino)-2-oxoethyl]-N-(2,3-dimethylphenyl)-2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetamide?
N-[2-(benzylamino)-2-oxoethyl]-N-(2,3-dimethylphenyl)-2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetamide has a molecular weight of 458.52 g/mol, XLogP of 3.21, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(benzylamino)-2-oxoethyl]-N-(2,3-dimethylphenyl)-2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetamide is sourced from PubChem (CID 649774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).