N-cyclopentyl-2-[[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]-(2-morpholin-4-ylethyl)amino]pentanamide

C24H37N7O4 — CID 3179989

IUPACN-cyclopentyl-2-[[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]-(2-morpholin-4-ylethyl)amino]pentanamide
SMILESCCCC(C(=O)NC1CCCC1)N(CCN1CCOCC1)C(=O)Cn1nnc(-c2ccc(C)o2)n1
InChIInChI=1S/C24H37N7O4/c1-3-6-20(24(33)25-19-7-4-5-8-19)30(12-11-29-13-15-34-16-14-29)22(32)17-31-27-23(26-28-31)21-10-9-18(2)35-21/h9-10,19-20H,3-8,11-17H2,1-2H3,(H,25,33)
InChIKeyVSMVIKUFXPVYSY-UHFFFAOYSA-N
MW487.61 g/mol
LogP1.63
Rot. Bonds11

About N-cyclopentyl-2-[[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]-(2-morpholin-4-ylethyl)amino]pentanamide

N-cyclopentyl-2-[[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]-(2-morpholin-4-ylethyl)amino]pentanamide (PubChem CID 3179989) has the molecular formula C24H37N7O4 and a molecular weight of 487.61 g/mol. Its IUPAC name is N-cyclopentyl-2-[[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]-(2-morpholin-4-ylethyl)amino]pentanamide.

Molecular Properties

Compound NameN-cyclopentyl-2-[[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]-(2-morpholin-4-ylethyl)amino]pentanamide
PubChem CID3179989
Molecular FormulaC24H37N7O4
Molecular Weight487.61 g/mol
Exact Mass487.29
IUPAC NameN-cyclopentyl-2-[[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]-(2-morpholin-4-ylethyl)amino]pentanamide
SMILESCCCC(C(=O)NC1CCCC1)N(CCN1CCOCC1)C(=O)Cn1nnc(-c2ccc(C)o2)n1
InChIInChI=1S/C24H37N7O4/c1-3-6-20(24(33)25-19-7-4-5-8-19)30(12-11-29-13-15-34-16-14-29)22(32)17-31-27-23(26-28-31)21-10-9-18(2)35-21/h9-10,19-20H,3-8,11-17H2,1-2H3,(H,25,33)
InChIKeyVSMVIKUFXPVYSY-UHFFFAOYSA-N
XLogP1.63
TPSA118.62 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds11
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500487.61
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-2-[[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]-(2-morpholin-4-ylethyl)amino]pentanamide?
The IUPAC name of N-cyclopentyl-2-[[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]-(2-morpholin-4-ylethyl)amino]pentanamide (CID 3179989) is N-cyclopentyl-2-[[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]-(2-morpholin-4-ylethyl)amino]pentanamide.
What is the SMILES notation for N-cyclopentyl-2-[[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]-(2-morpholin-4-ylethyl)amino]pentanamide?
The canonical SMILES for N-cyclopentyl-2-[[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]-(2-morpholin-4-ylethyl)amino]pentanamide is CCCC(C(=O)NC1CCCC1)N(CCN1CCOCC1)C(=O)Cn1nnc(-c2ccc(C)o2)n1.
What is the InChIKey of N-cyclopentyl-2-[[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]-(2-morpholin-4-ylethyl)amino]pentanamide?
The InChIKey is VSMVIKUFXPVYSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H37N7O4/c1-3-6-20(24(33)25-19-7-4-5-8-19)30(12-11-29-13-15-34-16-14-29)22(32)17-31-27-23(26-28-31)21-10-9-18(2)35-21/h9-10,19-20H,3-8,11-17H2,1-2H3,(H,25,33).
What are the key properties of N-cyclopentyl-2-[[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]-(2-morpholin-4-ylethyl)amino]pentanamide?
N-cyclopentyl-2-[[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]-(2-morpholin-4-ylethyl)amino]pentanamide has a molecular weight of 487.61 g/mol, XLogP of 1.63, 11 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-2-[[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]-(2-morpholin-4-ylethyl)amino]pentanamide is sourced from PubChem (CID 3179989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).