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

C24H30N6O4 — CID 3180026

IUPACN-cyclopentyl-2-(3-hydroxy-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)c1cccc(O)c1
InChIInChI=1S/C24H30N6O4/c1-3-7-20(24(33)25-17-8-4-5-9-17)30(18-10-6-11-19(31)14-18)22(32)15-29-27-23(26-28-29)21-13-12-16(2)34-21/h6,10-14,17,20,31H,3-5,7-9,15H2,1-2H3,(H,25,33)
InChIKeyZRYICOVXMIPQKR-UHFFFAOYSA-N
MW466.54 g/mol
LogP3.21
Rot. Bonds9

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

N-cyclopentyl-2-(3-hydroxy-N-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]anilino)pentanamide (PubChem CID 3180026) has the molecular formula C24H30N6O4 and a molecular weight of 466.54 g/mol. Its IUPAC name is N-cyclopentyl-2-(3-hydroxy-N-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]anilino)pentanamide.

Molecular Properties

Compound NameN-cyclopentyl-2-(3-hydroxy-N-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]anilino)pentanamide
PubChem CID3180026
Molecular FormulaC24H30N6O4
Molecular Weight466.54 g/mol
Exact Mass466.23
IUPAC NameN-cyclopentyl-2-(3-hydroxy-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)c1cccc(O)c1
InChIInChI=1S/C24H30N6O4/c1-3-7-20(24(33)25-17-8-4-5-9-17)30(18-10-6-11-19(31)14-18)22(32)15-29-27-23(26-28-29)21-13-12-16(2)34-21/h6,10-14,17,20,31H,3-5,7-9,15H2,1-2H3,(H,25,33)
InChIKeyZRYICOVXMIPQKR-UHFFFAOYSA-N
XLogP3.21
TPSA126.38 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.54
LogP ≤ 53.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

2-((2-Methoxy-phenyl)-{2-[5-(5-methyl-furan-2-yl)-tetrazol-2-yl]-acetyl}-amino)-pentanoic acid cyclopentylamide
CID 647713
N-(tert-Butylcarbamoyl-methyl)-N-(2-methoxy-phenyl)-2-[5-(5-methyl-furan-2-yl)-tetrazol-2-yl]-acetamide
CID 648211
N-Cyclopentyl-2-furan-2-yl-2-({2-[5-(5-methyl-furan-2-yl)-tetrazol-2-yl]-acetyl}-phenyl-amino)-acetamide
CID 655204
N-[2-(cyclohexylamino)-2-oxoethyl]-2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]-N-(3-methylphenyl)acetamide
CID 1153911
N-[2-(cyclohexylamino)-2-oxoethyl]-2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]-N-(4-methylphenyl)acetamide
CID 1153917
N-tert-Butyl-2-((4-fluoro-phenyl)-{2-[5-(5-methyl-furan-2-yl)-tetrazol-2-yl]-acetyl}-amino)-2-furan-2-yl-acetamide
CID 3179107
N-tert-Butyl-2-((3-methoxy-phenyl)-{2-[5-(5-methyl-furan-2-yl)-tetrazol-2-yl]-acetyl}-amino)-2-thiophen-2-yl-acetamide
CID 3179221
N-(3-Chloro-4-fluoro-phenyl)-N-cyclopentylcarbamoylmethyl-2-[5-(5-methyl-furan-2-yl)-tetrazol-2-yl]-acetamide
CID 3179786
N-Cyclopentylcarbamoylmethyl-N-(4-methoxy-phenyl)-2-[5-(5-methyl-furan-2-yl)-tetrazol-2-yl]-acetamide
CID 3179795
N-Cyclopentylcarbamoylmethyl-N-(2-methoxy-5-methyl-phenyl)-2-[5-(5-methyl-furan-2-yl)-tetrazol-2-yl]-acetamide
CID 3179808
N-Cyclopentyl-2-((4-fluoro-phenyl)-{2-[5-(5-methyl-furan-2-yl)-tetrazol-2-yl]-acetyl}-amino)-butyramide
CID 3179950
N-Cyclopentyl-2-((3,4-dimethoxy-phenyl)-{2-[5-(5-methyl-furan-2-yl)-tetrazol-2-yl]-acetyl}-amino)-butyramide
CID 3179975

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)pentanamide?
The IUPAC name of N-cyclopentyl-2-(3-hydroxy-N-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]anilino)pentanamide (CID 3180026) is N-cyclopentyl-2-(3-hydroxy-N-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]anilino)pentanamide.
What is the SMILES notation for N-cyclopentyl-2-(3-hydroxy-N-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]anilino)pentanamide?
The canonical SMILES for N-cyclopentyl-2-(3-hydroxy-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)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)pentanamide?
The InChIKey is ZRYICOVXMIPQKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N6O4/c1-3-7-20(24(33)25-17-8-4-5-9-17)30(18-10-6-11-19(31)14-18)22(32)15-29-27-23(26-28-29)21-13-12-16(2)34-21/h6,10-14,17,20,31H,3-5,7-9,15H2,1-2H3,(H,25,33).
What are the key properties of N-cyclopentyl-2-(3-hydroxy-N-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]anilino)pentanamide?
N-cyclopentyl-2-(3-hydroxy-N-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]anilino)pentanamide has a molecular weight of 466.54 g/mol, XLogP of 3.21, 9 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)pentanamide is sourced from PubChem (CID 3180026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).