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

C23H28N6O3 — CID 1153917

IUPACN-[2-(cyclohexylamino)-2-oxoethyl]-2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]-N-(4-methylphenyl)acetamide
SMILESCc1ccc(N(CC(=O)NC2CCCCC2)C(=O)Cn2nnc(-c3ccc(C)o3)n2)cc1
InChIInChI=1S/C23H28N6O3/c1-16-8-11-19(12-9-16)28(14-21(30)24-18-6-4-3-5-7-18)22(31)15-29-26-23(25-27-29)20-13-10-17(2)32-20/h8-13,18H,3-7,14-15H2,1-2H3,(H,24,30)
InChIKeyALRKGSZORMEHHQ-UHFFFAOYSA-N
MW436.52 g/mol
LogP3.03
Rot. Bonds7

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

N-[2-(cyclohexylamino)-2-oxoethyl]-2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]-N-(4-methylphenyl)acetamide (PubChem CID 1153917) has the molecular formula C23H28N6O3 and a molecular weight of 436.52 g/mol. Its IUPAC name is N-[2-(cyclohexylamino)-2-oxoethyl]-2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]-N-(4-methylphenyl)acetamide.

Molecular Properties

Compound NameN-[2-(cyclohexylamino)-2-oxoethyl]-2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]-N-(4-methylphenyl)acetamide
PubChem CID1153917
Molecular FormulaC23H28N6O3
Molecular Weight436.52 g/mol
Exact Mass436.22
IUPAC NameN-[2-(cyclohexylamino)-2-oxoethyl]-2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]-N-(4-methylphenyl)acetamide
SMILESCc1ccc(N(CC(=O)NC2CCCCC2)C(=O)Cn2nnc(-c3ccc(C)o3)n2)cc1
InChIInChI=1S/C23H28N6O3/c1-16-8-11-19(12-9-16)28(14-21(30)24-18-6-4-3-5-7-18)22(31)15-29-26-23(25-27-29)20-13-10-17(2)32-20/h8-13,18H,3-7,14-15H2,1-2H3,(H,24,30)
InChIKeyALRKGSZORMEHHQ-UHFFFAOYSA-N
XLogP3.03
TPSA106.15 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.52
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[2-(cyclohexylamino)-2-oxoethyl]-2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]-N-(4-methylphenyl)acetamide?
The IUPAC name of N-[2-(cyclohexylamino)-2-oxoethyl]-2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]-N-(4-methylphenyl)acetamide (CID 1153917) is N-[2-(cyclohexylamino)-2-oxoethyl]-2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]-N-(4-methylphenyl)acetamide.
What is the SMILES notation for N-[2-(cyclohexylamino)-2-oxoethyl]-2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]-N-(4-methylphenyl)acetamide?
The canonical SMILES for N-[2-(cyclohexylamino)-2-oxoethyl]-2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]-N-(4-methylphenyl)acetamide is Cc1ccc(N(CC(=O)NC2CCCCC2)C(=O)Cn2nnc(-c3ccc(C)o3)n2)cc1.
What is the InChIKey of N-[2-(cyclohexylamino)-2-oxoethyl]-2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]-N-(4-methylphenyl)acetamide?
The InChIKey is ALRKGSZORMEHHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N6O3/c1-16-8-11-19(12-9-16)28(14-21(30)24-18-6-4-3-5-7-18)22(31)15-29-26-23(25-27-29)20-13-10-17(2)32-20/h8-13,18H,3-7,14-15H2,1-2H3,(H,24,30).
What are the key properties of N-[2-(cyclohexylamino)-2-oxoethyl]-2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]-N-(4-methylphenyl)acetamide?
N-[2-(cyclohexylamino)-2-oxoethyl]-2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]-N-(4-methylphenyl)acetamide has a molecular weight of 436.52 g/mol, XLogP of 3.03, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(cyclohexylamino)-2-oxoethyl]-2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]-N-(4-methylphenyl)acetamide is sourced from PubChem (CID 1153917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).