N-cyclopentyl-2-[5-(4-fluorophenyl)tetrazol-2-yl]-N-[2-(3-methylbutylamino)-2-oxoethyl]acetamide

C21H29FN6O2 — CID 654864

IUPACN-cyclopentyl-2-[5-(4-fluorophenyl)tetrazol-2-yl]-N-[2-(3-methylbutylamino)-2-oxoethyl]acetamide
SMILESCC(C)CCNC(=O)CN(C(=O)Cn1nnc(-c2ccc(F)cc2)n1)C1CCCC1
InChIInChI=1S/C21H29FN6O2/c1-15(2)11-12-23-19(29)13-27(18-5-3-4-6-18)20(30)14-28-25-21(24-26-28)16-7-9-17(22)10-8-16/h7-10,15,18H,3-6,11-14H2,1-2H3,(H,23,29)
InChIKeyDKCQNHMQRKOFTP-UHFFFAOYSA-N
MW416.50 g/mol
LogP2.41
Rot. Bonds9

About N-cyclopentyl-2-[5-(4-fluorophenyl)tetrazol-2-yl]-N-[2-(3-methylbutylamino)-2-oxoethyl]acetamide

N-cyclopentyl-2-[5-(4-fluorophenyl)tetrazol-2-yl]-N-[2-(3-methylbutylamino)-2-oxoethyl]acetamide (PubChem CID 654864) has the molecular formula C21H29FN6O2 and a molecular weight of 416.50 g/mol. Its IUPAC name is N-cyclopentyl-2-[5-(4-fluorophenyl)tetrazol-2-yl]-N-[2-(3-methylbutylamino)-2-oxoethyl]acetamide.

Molecular Properties

Compound NameN-cyclopentyl-2-[5-(4-fluorophenyl)tetrazol-2-yl]-N-[2-(3-methylbutylamino)-2-oxoethyl]acetamide
PubChem CID654864
Molecular FormulaC21H29FN6O2
Molecular Weight416.50 g/mol
Exact Mass416.23
IUPAC NameN-cyclopentyl-2-[5-(4-fluorophenyl)tetrazol-2-yl]-N-[2-(3-methylbutylamino)-2-oxoethyl]acetamide
SMILESCC(C)CCNC(=O)CN(C(=O)Cn1nnc(-c2ccc(F)cc2)n1)C1CCCC1
InChIInChI=1S/C21H29FN6O2/c1-15(2)11-12-23-19(29)13-27(18-5-3-4-6-18)20(30)14-28-25-21(24-26-28)16-7-9-17(22)10-8-16/h7-10,15,18H,3-6,11-14H2,1-2H3,(H,23,29)
InChIKeyDKCQNHMQRKOFTP-UHFFFAOYSA-N
XLogP2.41
TPSA93.01 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.50
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-2-[5-(4-fluorophenyl)tetrazol-2-yl]-N-[2-(3-methylbutylamino)-2-oxoethyl]acetamide?
The IUPAC name of N-cyclopentyl-2-[5-(4-fluorophenyl)tetrazol-2-yl]-N-[2-(3-methylbutylamino)-2-oxoethyl]acetamide (CID 654864) is N-cyclopentyl-2-[5-(4-fluorophenyl)tetrazol-2-yl]-N-[2-(3-methylbutylamino)-2-oxoethyl]acetamide.
What is the SMILES notation for N-cyclopentyl-2-[5-(4-fluorophenyl)tetrazol-2-yl]-N-[2-(3-methylbutylamino)-2-oxoethyl]acetamide?
The canonical SMILES for N-cyclopentyl-2-[5-(4-fluorophenyl)tetrazol-2-yl]-N-[2-(3-methylbutylamino)-2-oxoethyl]acetamide is CC(C)CCNC(=O)CN(C(=O)Cn1nnc(-c2ccc(F)cc2)n1)C1CCCC1.
What is the InChIKey of N-cyclopentyl-2-[5-(4-fluorophenyl)tetrazol-2-yl]-N-[2-(3-methylbutylamino)-2-oxoethyl]acetamide?
The InChIKey is DKCQNHMQRKOFTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29FN6O2/c1-15(2)11-12-23-19(29)13-27(18-5-3-4-6-18)20(30)14-28-25-21(24-26-28)16-7-9-17(22)10-8-16/h7-10,15,18H,3-6,11-14H2,1-2H3,(H,23,29).
What are the key properties of N-cyclopentyl-2-[5-(4-fluorophenyl)tetrazol-2-yl]-N-[2-(3-methylbutylamino)-2-oxoethyl]acetamide?
N-cyclopentyl-2-[5-(4-fluorophenyl)tetrazol-2-yl]-N-[2-(3-methylbutylamino)-2-oxoethyl]acetamide has a molecular weight of 416.50 g/mol, XLogP of 2.41, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-2-[5-(4-fluorophenyl)tetrazol-2-yl]-N-[2-(3-methylbutylamino)-2-oxoethyl]acetamide is sourced from PubChem (CID 654864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).