N-cyclopentyl-2-(3-hydroxy-N-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]anilino)butanamide

C23H28N6O4 — CID 3179954

IUPACN-cyclopentyl-2-(3-hydroxy-N-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]anilino)butanamide
SMILESCCC(C(=O)NC1CCCC1)N(C(=O)Cn1nnc(-c2ccc(C)o2)n1)c1cccc(O)c1
InChIInChI=1S/C23H28N6O4/c1-3-19(23(32)24-16-7-4-5-8-16)29(17-9-6-10-18(30)13-17)21(31)14-28-26-22(25-27-28)20-12-11-15(2)33-20/h6,9-13,16,19,30H,3-5,7-8,14H2,1-2H3,(H,24,32)
InChIKeyZVOFLYRZJPQMDU-UHFFFAOYSA-N
MW452.52 g/mol
LogP2.82
Rot. Bonds8

About N-cyclopentyl-2-(3-hydroxy-N-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]anilino)butanamide

N-cyclopentyl-2-(3-hydroxy-N-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]anilino)butanamide (PubChem CID 3179954) has the molecular formula C23H28N6O4 and a molecular weight of 452.52 g/mol. Its IUPAC name is N-cyclopentyl-2-(3-hydroxy-N-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]anilino)butanamide.

Molecular Properties

Compound NameN-cyclopentyl-2-(3-hydroxy-N-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]anilino)butanamide
PubChem CID3179954
Molecular FormulaC23H28N6O4
Molecular Weight452.52 g/mol
Exact Mass452.22
IUPAC NameN-cyclopentyl-2-(3-hydroxy-N-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]anilino)butanamide
SMILESCCC(C(=O)NC1CCCC1)N(C(=O)Cn1nnc(-c2ccc(C)o2)n1)c1cccc(O)c1
InChIInChI=1S/C23H28N6O4/c1-3-19(23(32)24-16-7-4-5-8-16)29(17-9-6-10-18(30)13-17)21(31)14-28-26-22(25-27-28)20-12-11-15(2)33-20/h6,9-13,16,19,30H,3-5,7-8,14H2,1-2H3,(H,24,32)
InChIKeyZVOFLYRZJPQMDU-UHFFFAOYSA-N
XLogP2.82
TPSA126.38 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.52
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-2-(3-hydroxy-N-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]anilino)butanamide?
The IUPAC name of N-cyclopentyl-2-(3-hydroxy-N-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]anilino)butanamide (CID 3179954) is N-cyclopentyl-2-(3-hydroxy-N-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]anilino)butanamide.
What is the SMILES notation for N-cyclopentyl-2-(3-hydroxy-N-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]anilino)butanamide?
The canonical SMILES for N-cyclopentyl-2-(3-hydroxy-N-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]anilino)butanamide is CCC(C(=O)NC1CCCC1)N(C(=O)Cn1nnc(-c2ccc(C)o2)n1)c1cccc(O)c1.
What is the InChIKey of N-cyclopentyl-2-(3-hydroxy-N-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]anilino)butanamide?
The InChIKey is ZVOFLYRZJPQMDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N6O4/c1-3-19(23(32)24-16-7-4-5-8-16)29(17-9-6-10-18(30)13-17)21(31)14-28-26-22(25-27-28)20-12-11-15(2)33-20/h6,9-13,16,19,30H,3-5,7-8,14H2,1-2H3,(H,24,32).
What are the key properties of N-cyclopentyl-2-(3-hydroxy-N-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]anilino)butanamide?
N-cyclopentyl-2-(3-hydroxy-N-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]anilino)butanamide has a molecular weight of 452.52 g/mol, XLogP of 2.82, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-2-(3-hydroxy-N-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]anilino)butanamide is sourced from PubChem (CID 3179954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).