N-[2-(cyclopentylamino)-2-oxoethyl]-N-(4-methoxyphenyl)-2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetamide

C22H26N6O4 — CID 3179795

IUPACN-[2-(cyclopentylamino)-2-oxoethyl]-N-(4-methoxyphenyl)-2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetamide
SMILESCOc1ccc(N(CC(=O)NC2CCCC2)C(=O)Cn2nnc(-c3ccc(C)o3)n2)cc1
InChIInChI=1S/C22H26N6O4/c1-15-7-12-19(32-15)22-24-26-28(25-22)14-21(30)27(17-8-10-18(31-2)11-9-17)13-20(29)23-16-5-3-4-6-16/h7-12,16H,3-6,13-14H2,1-2H3,(H,23,29)
InChIKeyRGQHASRVOWEMHB-UHFFFAOYSA-N
MW438.49 g/mol
LogP2.34
Rot. Bonds8

About N-[2-(cyclopentylamino)-2-oxoethyl]-N-(4-methoxyphenyl)-2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetamide

N-[2-(cyclopentylamino)-2-oxoethyl]-N-(4-methoxyphenyl)-2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetamide (PubChem CID 3179795) has the molecular formula C22H26N6O4 and a molecular weight of 438.49 g/mol. Its IUPAC name is N-[2-(cyclopentylamino)-2-oxoethyl]-N-(4-methoxyphenyl)-2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetamide.

Molecular Properties

Compound NameN-[2-(cyclopentylamino)-2-oxoethyl]-N-(4-methoxyphenyl)-2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetamide
PubChem CID3179795
Molecular FormulaC22H26N6O4
Molecular Weight438.49 g/mol
Exact Mass438.20
IUPAC NameN-[2-(cyclopentylamino)-2-oxoethyl]-N-(4-methoxyphenyl)-2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetamide
SMILESCOc1ccc(N(CC(=O)NC2CCCC2)C(=O)Cn2nnc(-c3ccc(C)o3)n2)cc1
InChIInChI=1S/C22H26N6O4/c1-15-7-12-19(32-15)22-24-26-28(25-22)14-21(30)27(17-8-10-18(31-2)11-9-17)13-20(29)23-16-5-3-4-6-16/h7-12,16H,3-6,13-14H2,1-2H3,(H,23,29)
InChIKeyRGQHASRVOWEMHB-UHFFFAOYSA-N
XLogP2.34
TPSA115.38 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.49
LogP ≤ 52.34
H-Bond Donors ≤ 51
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-(Benzylcarbamoyl-methyl)-N-(2,3-dimethyl-phenyl)-2-[5-(5-methyl-furan-2-yl)-tetrazol-2-yl]-acetamide
CID 649774
N-(3-Chloro-4-fluoro-phenyl)-2-[5-(5-methyl-furan-2-yl)-tetrazol-2-yl]-N-{[(tetrahydro-furan-2-ylmethyl)-carbamoyl]-methyl}-acetamide
CID 651258
N-cyclopentyl-2-[cyclopentyl-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]amino]pentanamide
CID 651725
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-[4-[2-[2-(furan-2-ylmethylamino)-2-oxoethyl]tetrazol-5-yl]phenyl]-3-methylbutanamide
CID 1440069
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-(3-Chloro-4-fluoro-phenyl)-N-cyclopentylcarbamoylmethyl-2-[5-(5-methyl-furan-2-yl)-tetrazol-2-yl]-acetamide
CID 3179786
N-Cyclopentylcarbamoylmethyl-N-(2-methoxy-5-methyl-phenyl)-2-[5-(5-methyl-furan-2-yl)-tetrazol-2-yl]-acetamide
CID 3179808

Frequently Asked Questions

What is the IUPAC name of N-[2-(cyclopentylamino)-2-oxoethyl]-N-(4-methoxyphenyl)-2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetamide?
The IUPAC name of N-[2-(cyclopentylamino)-2-oxoethyl]-N-(4-methoxyphenyl)-2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetamide (CID 3179795) is N-[2-(cyclopentylamino)-2-oxoethyl]-N-(4-methoxyphenyl)-2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetamide.
What is the SMILES notation for N-[2-(cyclopentylamino)-2-oxoethyl]-N-(4-methoxyphenyl)-2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetamide?
The canonical SMILES for N-[2-(cyclopentylamino)-2-oxoethyl]-N-(4-methoxyphenyl)-2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetamide is COc1ccc(N(CC(=O)NC2CCCC2)C(=O)Cn2nnc(-c3ccc(C)o3)n2)cc1.
What is the InChIKey of N-[2-(cyclopentylamino)-2-oxoethyl]-N-(4-methoxyphenyl)-2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetamide?
The InChIKey is RGQHASRVOWEMHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N6O4/c1-15-7-12-19(32-15)22-24-26-28(25-22)14-21(30)27(17-8-10-18(31-2)11-9-17)13-20(29)23-16-5-3-4-6-16/h7-12,16H,3-6,13-14H2,1-2H3,(H,23,29).
What are the key properties of N-[2-(cyclopentylamino)-2-oxoethyl]-N-(4-methoxyphenyl)-2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetamide?
N-[2-(cyclopentylamino)-2-oxoethyl]-N-(4-methoxyphenyl)-2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetamide has a molecular weight of 438.49 g/mol, XLogP of 2.34, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(cyclopentylamino)-2-oxoethyl]-N-(4-methoxyphenyl)-2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetamide is sourced from PubChem (CID 3179795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).