N-cyclopentyl-2-(2-methoxy-N-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]anilino)pentanamide

C25H32N6O4 — CID 647713

IUPACN-cyclopentyl-2-(2-methoxy-N-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]anilino)pentanamide
SMILESCCCC(C(=O)NC1CCCC1)N(C(=O)Cn1nnc(-c2ccc(C)o2)n1)c1ccccc1OC
InChIInChI=1S/C25H32N6O4/c1-4-9-20(25(33)26-18-10-5-6-11-18)31(19-12-7-8-13-21(19)34-3)23(32)16-30-28-24(27-29-30)22-15-14-17(2)35-22/h7-8,12-15,18,20H,4-6,9-11,16H2,1-3H3,(H,26,33)
InChIKeyNYYXBLJDNIPIHR-UHFFFAOYSA-N
MW480.57 g/mol
LogP3.51
Rot. Bonds10

About N-cyclopentyl-2-(2-methoxy-N-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]anilino)pentanamide

N-cyclopentyl-2-(2-methoxy-N-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]anilino)pentanamide (PubChem CID 647713) has the molecular formula C25H32N6O4 and a molecular weight of 480.57 g/mol. Its IUPAC name is N-cyclopentyl-2-(2-methoxy-N-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]anilino)pentanamide.

Molecular Properties

Compound NameN-cyclopentyl-2-(2-methoxy-N-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]anilino)pentanamide
PubChem CID647713
Molecular FormulaC25H32N6O4
Molecular Weight480.57 g/mol
Exact Mass480.25
IUPAC NameN-cyclopentyl-2-(2-methoxy-N-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]anilino)pentanamide
SMILESCCCC(C(=O)NC1CCCC1)N(C(=O)Cn1nnc(-c2ccc(C)o2)n1)c1ccccc1OC
InChIInChI=1S/C25H32N6O4/c1-4-9-20(25(33)26-18-10-5-6-11-18)31(19-12-7-8-13-21(19)34-3)23(32)16-30-28-24(27-29-30)22-15-14-17(2)35-22/h7-8,12-15,18,20H,4-6,9-11,16H2,1-3H3,(H,26,33)
InChIKeyNYYXBLJDNIPIHR-UHFFFAOYSA-N
XLogP3.51
TPSA115.38 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.57
LogP ≤ 53.51
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-methoxy-N-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]anilino)pentanamide?
The IUPAC name of N-cyclopentyl-2-(2-methoxy-N-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]anilino)pentanamide (CID 647713) is N-cyclopentyl-2-(2-methoxy-N-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]anilino)pentanamide.
What is the SMILES notation for N-cyclopentyl-2-(2-methoxy-N-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]anilino)pentanamide?
The canonical SMILES for N-cyclopentyl-2-(2-methoxy-N-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]anilino)pentanamide is CCCC(C(=O)NC1CCCC1)N(C(=O)Cn1nnc(-c2ccc(C)o2)n1)c1ccccc1OC.
What is the InChIKey of N-cyclopentyl-2-(2-methoxy-N-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]anilino)pentanamide?
The InChIKey is NYYXBLJDNIPIHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32N6O4/c1-4-9-20(25(33)26-18-10-5-6-11-18)31(19-12-7-8-13-21(19)34-3)23(32)16-30-28-24(27-29-30)22-15-14-17(2)35-22/h7-8,12-15,18,20H,4-6,9-11,16H2,1-3H3,(H,26,33).
What are the key properties of N-cyclopentyl-2-(2-methoxy-N-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]anilino)pentanamide?
N-cyclopentyl-2-(2-methoxy-N-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]anilino)pentanamide has a molecular weight of 480.57 g/mol, XLogP of 3.51, 10 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-2-(2-methoxy-N-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]anilino)pentanamide is sourced from PubChem (CID 647713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).