N-[2-(cyclohexylamino)-2-oxoethyl]-N-(2,4-dimethoxyphenyl)-2-[5-(4-methylphenyl)tetrazol-2-yl]acetamide

C26H32N6O4 — CID 3180571

IUPACN-[2-(cyclohexylamino)-2-oxoethyl]-N-(2,4-dimethoxyphenyl)-2-[5-(4-methylphenyl)tetrazol-2-yl]acetamide
SMILESCOc1ccc(N(CC(=O)NC2CCCCC2)C(=O)Cn2nnc(-c3ccc(C)cc3)n2)c(OC)c1
InChIInChI=1S/C26H32N6O4/c1-18-9-11-19(12-10-18)26-28-30-32(29-26)17-25(34)31(16-24(33)27-20-7-5-4-6-8-20)22-14-13-21(35-2)15-23(22)36-3/h9-15,20H,4-8,16-17H2,1-3H3,(H,27,33)
InChIKeyCVAVEMYAPVHGAY-UHFFFAOYSA-N
MW492.58 g/mol
LogP3.15
Rot. Bonds9

About N-[2-(cyclohexylamino)-2-oxoethyl]-N-(2,4-dimethoxyphenyl)-2-[5-(4-methylphenyl)tetrazol-2-yl]acetamide

N-[2-(cyclohexylamino)-2-oxoethyl]-N-(2,4-dimethoxyphenyl)-2-[5-(4-methylphenyl)tetrazol-2-yl]acetamide (PubChem CID 3180571) has the molecular formula C26H32N6O4 and a molecular weight of 492.58 g/mol. Its IUPAC name is N-[2-(cyclohexylamino)-2-oxoethyl]-N-(2,4-dimethoxyphenyl)-2-[5-(4-methylphenyl)tetrazol-2-yl]acetamide.

Molecular Properties

Compound NameN-[2-(cyclohexylamino)-2-oxoethyl]-N-(2,4-dimethoxyphenyl)-2-[5-(4-methylphenyl)tetrazol-2-yl]acetamide
PubChem CID3180571
Molecular FormulaC26H32N6O4
Molecular Weight492.58 g/mol
Exact Mass492.25
IUPAC NameN-[2-(cyclohexylamino)-2-oxoethyl]-N-(2,4-dimethoxyphenyl)-2-[5-(4-methylphenyl)tetrazol-2-yl]acetamide
SMILESCOc1ccc(N(CC(=O)NC2CCCCC2)C(=O)Cn2nnc(-c3ccc(C)cc3)n2)c(OC)c1
InChIInChI=1S/C26H32N6O4/c1-18-9-11-19(12-10-18)26-28-30-32(29-26)17-25(34)31(16-24(33)27-20-7-5-4-6-8-20)22-14-13-21(35-2)15-23(22)36-3/h9-15,20H,4-8,16-17H2,1-3H3,(H,27,33)
InChIKeyCVAVEMYAPVHGAY-UHFFFAOYSA-N
XLogP3.15
TPSA111.47 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500492.58
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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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-(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-(cyclopentylamino)-2-oxoethyl]-N-(2-methylphenyl)-2-[5-(4-methylphenyl)tetrazol-2-yl]acetamide
CID 3767268
N-[2-(cyclopentylamino)-2-oxoethyl]-2-[5-(4-methylphenyl)tetrazol-2-yl]-N-phenylacetamide
CID 4588687
N-[2-(cyclohexylamino)-2-oxoethyl]-N-(2,3-dimethylphenyl)-2-[5-(4-fluorophenyl)tetrazol-2-yl]acetamide
CID 1153924
N-benzyl-N-[2-(cyclopentylamino)-2-oxoethyl]-2-[5-(3,4-dimethoxyphenyl)tetrazol-2-yl]acetamide
CID 23960420
N-[2-(cyclopentylamino)-2-oxoethyl]-2-[5-(4-methoxyphenyl)tetrazol-2-yl]-N-(thiophen-2-ylmethyl)acetamide
CID 3179728
2-(N-[2-[5-(4-chlorophenyl)tetrazol-2-yl]acetyl]-2-methoxy-5-methylanilino)-N-cyclopentylpropanamide
CID 3179880
(2S)-2-[cyclohexyl-[2-[5-(3,4-dimethoxyphenyl)tetrazol-2-yl]acetyl]amino]-N-cyclopentyl-2-(4-methylphenyl)acetamide
CID 98090820
(2R)-N-cyclopentyl-2-[(2-methoxyphenyl)methyl-[2-[5-(4-methylphenyl)tetrazol-2-yl]acetyl]amino]propanamide
CID 5438576
(2S)-N-cyclopentyl-2-(N-[2-[5-(3,4-dimethoxyphenyl)tetrazol-2-yl]acetyl]-4-methylanilino)butanamide
CID 1153766

Frequently Asked Questions

What is the IUPAC name of N-[2-(cyclohexylamino)-2-oxoethyl]-N-(2,4-dimethoxyphenyl)-2-[5-(4-methylphenyl)tetrazol-2-yl]acetamide?
The IUPAC name of N-[2-(cyclohexylamino)-2-oxoethyl]-N-(2,4-dimethoxyphenyl)-2-[5-(4-methylphenyl)tetrazol-2-yl]acetamide (CID 3180571) is N-[2-(cyclohexylamino)-2-oxoethyl]-N-(2,4-dimethoxyphenyl)-2-[5-(4-methylphenyl)tetrazol-2-yl]acetamide.
What is the SMILES notation for N-[2-(cyclohexylamino)-2-oxoethyl]-N-(2,4-dimethoxyphenyl)-2-[5-(4-methylphenyl)tetrazol-2-yl]acetamide?
The canonical SMILES for N-[2-(cyclohexylamino)-2-oxoethyl]-N-(2,4-dimethoxyphenyl)-2-[5-(4-methylphenyl)tetrazol-2-yl]acetamide is COc1ccc(N(CC(=O)NC2CCCCC2)C(=O)Cn2nnc(-c3ccc(C)cc3)n2)c(OC)c1.
What is the InChIKey of N-[2-(cyclohexylamino)-2-oxoethyl]-N-(2,4-dimethoxyphenyl)-2-[5-(4-methylphenyl)tetrazol-2-yl]acetamide?
The InChIKey is CVAVEMYAPVHGAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32N6O4/c1-18-9-11-19(12-10-18)26-28-30-32(29-26)17-25(34)31(16-24(33)27-20-7-5-4-6-8-20)22-14-13-21(35-2)15-23(22)36-3/h9-15,20H,4-8,16-17H2,1-3H3,(H,27,33).
What are the key properties of N-[2-(cyclohexylamino)-2-oxoethyl]-N-(2,4-dimethoxyphenyl)-2-[5-(4-methylphenyl)tetrazol-2-yl]acetamide?
N-[2-(cyclohexylamino)-2-oxoethyl]-N-(2,4-dimethoxyphenyl)-2-[5-(4-methylphenyl)tetrazol-2-yl]acetamide has a molecular weight of 492.58 g/mol, XLogP of 3.15, 9 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(cyclohexylamino)-2-oxoethyl]-N-(2,4-dimethoxyphenyl)-2-[5-(4-methylphenyl)tetrazol-2-yl]acetamide is sourced from PubChem (CID 3180571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).