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

C23H27FN6O3 — CID 1153864

IUPACN-[2-(cyclohexylamino)-2-oxoethyl]-N-[(4-fluorophenyl)methyl]-2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetamide
SMILESCc1ccc(-c2nnn(CC(=O)N(CC(=O)NC3CCCCC3)Cc3ccc(F)cc3)n2)o1
InChIInChI=1S/C23H27FN6O3/c1-16-7-12-20(33-16)23-26-28-30(27-23)15-22(32)29(13-17-8-10-18(24)11-9-17)14-21(31)25-19-5-3-2-4-6-19/h7-12,19H,2-6,13-15H2,1H3,(H,25,31)
InChIKeyVLKIUFUKORIIMJ-UHFFFAOYSA-N
MW454.51 g/mol
LogP2.86
Rot. Bonds8

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

N-[2-(cyclohexylamino)-2-oxoethyl]-N-[(4-fluorophenyl)methyl]-2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetamide (PubChem CID 1153864) has the molecular formula C23H27FN6O3 and a molecular weight of 454.51 g/mol. Its IUPAC name is N-[2-(cyclohexylamino)-2-oxoethyl]-N-[(4-fluorophenyl)methyl]-2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetamide.

Molecular Properties

Compound NameN-[2-(cyclohexylamino)-2-oxoethyl]-N-[(4-fluorophenyl)methyl]-2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetamide
PubChem CID1153864
Molecular FormulaC23H27FN6O3
Molecular Weight454.51 g/mol
Exact Mass454.21
IUPAC NameN-[2-(cyclohexylamino)-2-oxoethyl]-N-[(4-fluorophenyl)methyl]-2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetamide
SMILESCc1ccc(-c2nnn(CC(=O)N(CC(=O)NC3CCCCC3)Cc3ccc(F)cc3)n2)o1
InChIInChI=1S/C23H27FN6O3/c1-16-7-12-20(33-16)23-26-28-30(27-23)15-22(32)29(13-17-8-10-18(24)11-9-17)14-21(31)25-19-5-3-2-4-6-19/h7-12,19H,2-6,13-15H2,1H3,(H,25,31)
InChIKeyVLKIUFUKORIIMJ-UHFFFAOYSA-N
XLogP2.86
TPSA106.15 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.51
LogP ≤ 52.86
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]-N-[(4-fluorophenyl)methyl]-2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetamide?
The IUPAC name of N-[2-(cyclohexylamino)-2-oxoethyl]-N-[(4-fluorophenyl)methyl]-2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetamide (CID 1153864) is N-[2-(cyclohexylamino)-2-oxoethyl]-N-[(4-fluorophenyl)methyl]-2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetamide.
What is the SMILES notation for N-[2-(cyclohexylamino)-2-oxoethyl]-N-[(4-fluorophenyl)methyl]-2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetamide?
The canonical SMILES for N-[2-(cyclohexylamino)-2-oxoethyl]-N-[(4-fluorophenyl)methyl]-2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetamide is Cc1ccc(-c2nnn(CC(=O)N(CC(=O)NC3CCCCC3)Cc3ccc(F)cc3)n2)o1.
What is the InChIKey of N-[2-(cyclohexylamino)-2-oxoethyl]-N-[(4-fluorophenyl)methyl]-2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetamide?
The InChIKey is VLKIUFUKORIIMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27FN6O3/c1-16-7-12-20(33-16)23-26-28-30(27-23)15-22(32)29(13-17-8-10-18(24)11-9-17)14-21(31)25-19-5-3-2-4-6-19/h7-12,19H,2-6,13-15H2,1H3,(H,25,31).
What are the key properties of N-[2-(cyclohexylamino)-2-oxoethyl]-N-[(4-fluorophenyl)methyl]-2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetamide?
N-[2-(cyclohexylamino)-2-oxoethyl]-N-[(4-fluorophenyl)methyl]-2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetamide has a molecular weight of 454.51 g/mol, XLogP of 2.86, 8 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]-N-[(4-fluorophenyl)methyl]-2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetamide is sourced from PubChem (CID 1153864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).