N-[2-(cyclopentylamino)-2-oxoethyl]-2-[5-(4-methylphenyl)tetrazol-2-yl]-N-phenylacetamide

C23H26N6O2 — CID 4588687

IUPACN-[2-(cyclopentylamino)-2-oxoethyl]-2-[5-(4-methylphenyl)tetrazol-2-yl]-N-phenylacetamide
SMILESCc1ccc(-c2nnn(CC(=O)N(CC(=O)NC3CCCC3)c3ccccc3)n2)cc1
InChIInChI=1S/C23H26N6O2/c1-17-11-13-18(14-12-17)23-25-27-29(26-23)16-22(31)28(20-9-3-2-4-10-20)15-21(30)24-19-7-5-6-8-19/h2-4,9-14,19H,5-8,15-16H2,1H3,(H,24,30)
InChIKeyXPVXORIWHRDMDG-UHFFFAOYSA-N
MW418.50 g/mol
LogP2.74
Rot. Bonds7

About N-[2-(cyclopentylamino)-2-oxoethyl]-2-[5-(4-methylphenyl)tetrazol-2-yl]-N-phenylacetamide

N-[2-(cyclopentylamino)-2-oxoethyl]-2-[5-(4-methylphenyl)tetrazol-2-yl]-N-phenylacetamide (PubChem CID 4588687) has the molecular formula C23H26N6O2 and a molecular weight of 418.50 g/mol. Its IUPAC name is N-[2-(cyclopentylamino)-2-oxoethyl]-2-[5-(4-methylphenyl)tetrazol-2-yl]-N-phenylacetamide.

Molecular Properties

Compound NameN-[2-(cyclopentylamino)-2-oxoethyl]-2-[5-(4-methylphenyl)tetrazol-2-yl]-N-phenylacetamide
PubChem CID4588687
Molecular FormulaC23H26N6O2
Molecular Weight418.50 g/mol
Exact Mass418.21
IUPAC NameN-[2-(cyclopentylamino)-2-oxoethyl]-2-[5-(4-methylphenyl)tetrazol-2-yl]-N-phenylacetamide
SMILESCc1ccc(-c2nnn(CC(=O)N(CC(=O)NC3CCCC3)c3ccccc3)n2)cc1
InChIInChI=1S/C23H26N6O2/c1-17-11-13-18(14-12-17)23-25-27-29(26-23)16-22(31)28(20-9-3-2-4-10-20)15-21(30)24-19-7-5-6-8-19/h2-4,9-14,19H,5-8,15-16H2,1H3,(H,24,30)
InChIKeyXPVXORIWHRDMDG-UHFFFAOYSA-N
XLogP2.74
TPSA93.01 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.50
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-(cyclopentylamino)-2-oxoethyl]-N-(4-methoxyphenyl)-2-[5-(4-methylphenyl)tetrazol-2-yl]acetamide
CID 656377
N-[2-(cyclopentylamino)-2-oxoethyl]-N-(2-methylphenyl)-2-[5-(4-methylphenyl)tetrazol-2-yl]acetamide
CID 3767268
N-[2-(cyclopentylamino)-2-oxoethyl]-N-(3-methoxyphenyl)-2-[5-(4-methylphenyl)tetrazol-2-yl]acetamide
CID 655165
N-[2-(cyclohexylamino)-2-oxoethyl]-2-[5-(3,4-dimethoxyphenyl)tetrazol-2-yl]-N-(3-methylphenyl)acetamide
CID 1153910
N-[2-(cyclohexylamino)-2-oxoethyl]-N-(2,4-dimethoxyphenyl)-2-[5-(4-methylphenyl)tetrazol-2-yl]acetamide
CID 3180571
N-[2-(cyclohexylamino)-2-oxoethyl]-N-(2,3-dimethylphenyl)-2-[5-(4-fluorophenyl)tetrazol-2-yl]acetamide
CID 1153924
2-[5-(4-chlorophenyl)tetrazol-2-yl]-N-cyclopentyl-N-[2-(cyclopentylamino)-2-oxoethyl]acetamide
CID 3179691
N-benzyl-N-[2-(cyclopentylamino)-2-oxoethyl]-2-[5-(3,4-dimethoxyphenyl)tetrazol-2-yl]acetamide
CID 23960420
(2S)-N-cyclopentyl-2-(3-fluoro-N-[2-[5-(4-methylphenyl)tetrazol-2-yl]acetyl]anilino)propanamide
CID 25446231
N-cyclopentyl-2-[5-(3-methylphenyl)tetrazol-2-yl]acetamide
CID 6458492
N-cyclohexyl-2-(3,5-dimethyl-N-[2-(5-phenyltetrazol-2-yl)acetyl]anilino)-2-pyridin-2-ylacetamide
CID 3181617
(2S)-N-cyclopentyl-2-[[2-[5-(4-methylphenyl)tetrazol-2-yl]acetyl]-quinolin-3-ylamino]butanamide
CID 40586663

Frequently Asked Questions

What is the IUPAC name of N-[2-(cyclopentylamino)-2-oxoethyl]-2-[5-(4-methylphenyl)tetrazol-2-yl]-N-phenylacetamide?
The IUPAC name of N-[2-(cyclopentylamino)-2-oxoethyl]-2-[5-(4-methylphenyl)tetrazol-2-yl]-N-phenylacetamide (CID 4588687) is N-[2-(cyclopentylamino)-2-oxoethyl]-2-[5-(4-methylphenyl)tetrazol-2-yl]-N-phenylacetamide.
What is the SMILES notation for N-[2-(cyclopentylamino)-2-oxoethyl]-2-[5-(4-methylphenyl)tetrazol-2-yl]-N-phenylacetamide?
The canonical SMILES for N-[2-(cyclopentylamino)-2-oxoethyl]-2-[5-(4-methylphenyl)tetrazol-2-yl]-N-phenylacetamide is Cc1ccc(-c2nnn(CC(=O)N(CC(=O)NC3CCCC3)c3ccccc3)n2)cc1.
What is the InChIKey of N-[2-(cyclopentylamino)-2-oxoethyl]-2-[5-(4-methylphenyl)tetrazol-2-yl]-N-phenylacetamide?
The InChIKey is XPVXORIWHRDMDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N6O2/c1-17-11-13-18(14-12-17)23-25-27-29(26-23)16-22(31)28(20-9-3-2-4-10-20)15-21(30)24-19-7-5-6-8-19/h2-4,9-14,19H,5-8,15-16H2,1H3,(H,24,30).
What are the key properties of N-[2-(cyclopentylamino)-2-oxoethyl]-2-[5-(4-methylphenyl)tetrazol-2-yl]-N-phenylacetamide?
N-[2-(cyclopentylamino)-2-oxoethyl]-2-[5-(4-methylphenyl)tetrazol-2-yl]-N-phenylacetamide has a molecular weight of 418.50 g/mol, XLogP of 2.74, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(cyclopentylamino)-2-oxoethyl]-2-[5-(4-methylphenyl)tetrazol-2-yl]-N-phenylacetamide is sourced from PubChem (CID 4588687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).