N-cyclopentyl-2-[2-(diethylamino)ethyl-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]amino]-2-(4-fluorophenyl)acetamide

C27H36FN7O3 — CID 3174706

IUPACN-cyclopentyl-2-[2-(diethylamino)ethyl-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]amino]-2-(4-fluorophenyl)acetamide
SMILESCCN(CC)CCN(C(=O)Cn1nnc(-c2ccc(C)o2)n1)C(C(=O)NC1CCCC1)c1ccc(F)cc1
InChIInChI=1S/C27H36FN7O3/c1-4-33(5-2)16-17-34(24(36)18-35-31-26(30-32-35)23-15-10-19(3)38-23)25(20-11-13-21(28)14-12-20)27(37)29-22-8-6-7-9-22/h10-15,22,25H,4-9,16-18H2,1-3H3,(H,29,37)
InChIKeyFFCLKJSLEUGLLO-UHFFFAOYSA-N
MW525.63 g/mol
LogP3.35
Rot. Bonds12

About N-cyclopentyl-2-[2-(diethylamino)ethyl-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]amino]-2-(4-fluorophenyl)acetamide

N-cyclopentyl-2-[2-(diethylamino)ethyl-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]amino]-2-(4-fluorophenyl)acetamide (PubChem CID 3174706) has the molecular formula C27H36FN7O3 and a molecular weight of 525.63 g/mol. Its IUPAC name is N-cyclopentyl-2-[2-(diethylamino)ethyl-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]amino]-2-(4-fluorophenyl)acetamide.

Molecular Properties

Compound NameN-cyclopentyl-2-[2-(diethylamino)ethyl-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]amino]-2-(4-fluorophenyl)acetamide
PubChem CID3174706
Molecular FormulaC27H36FN7O3
Molecular Weight525.63 g/mol
Exact Mass525.29
IUPAC NameN-cyclopentyl-2-[2-(diethylamino)ethyl-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]amino]-2-(4-fluorophenyl)acetamide
SMILESCCN(CC)CCN(C(=O)Cn1nnc(-c2ccc(C)o2)n1)C(C(=O)NC1CCCC1)c1ccc(F)cc1
InChIInChI=1S/C27H36FN7O3/c1-4-33(5-2)16-17-34(24(36)18-35-31-26(30-32-35)23-15-10-19(3)38-23)25(20-11-13-21(28)14-12-20)27(37)29-22-8-6-7-9-22/h10-15,22,25H,4-9,16-18H2,1-3H3,(H,29,37)
InChIKeyFFCLKJSLEUGLLO-UHFFFAOYSA-N
XLogP3.35
TPSA109.39 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds12
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500525.63
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-2-[2-(diethylamino)ethyl-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]amino]-2-(4-fluorophenyl)acetamide?
The IUPAC name of N-cyclopentyl-2-[2-(diethylamino)ethyl-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]amino]-2-(4-fluorophenyl)acetamide (CID 3174706) is N-cyclopentyl-2-[2-(diethylamino)ethyl-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]amino]-2-(4-fluorophenyl)acetamide.
What is the SMILES notation for N-cyclopentyl-2-[2-(diethylamino)ethyl-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]amino]-2-(4-fluorophenyl)acetamide?
The canonical SMILES for N-cyclopentyl-2-[2-(diethylamino)ethyl-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]amino]-2-(4-fluorophenyl)acetamide is CCN(CC)CCN(C(=O)Cn1nnc(-c2ccc(C)o2)n1)C(C(=O)NC1CCCC1)c1ccc(F)cc1.
What is the InChIKey of N-cyclopentyl-2-[2-(diethylamino)ethyl-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]amino]-2-(4-fluorophenyl)acetamide?
The InChIKey is FFCLKJSLEUGLLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H36FN7O3/c1-4-33(5-2)16-17-34(24(36)18-35-31-26(30-32-35)23-15-10-19(3)38-23)25(20-11-13-21(28)14-12-20)27(37)29-22-8-6-7-9-22/h10-15,22,25H,4-9,16-18H2,1-3H3,(H,29,37).
What are the key properties of N-cyclopentyl-2-[2-(diethylamino)ethyl-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]amino]-2-(4-fluorophenyl)acetamide?
N-cyclopentyl-2-[2-(diethylamino)ethyl-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]amino]-2-(4-fluorophenyl)acetamide has a molecular weight of 525.63 g/mol, XLogP of 3.35, 12 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-2-[2-(diethylamino)ethyl-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]amino]-2-(4-fluorophenyl)acetamide is sourced from PubChem (CID 3174706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).