2-(4-chlorophenyl)-N-cyclopentyl-2-[3-hydroxypropyl-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]amino]acetamide

C24H29ClN6O4 — CID 3180146

IUPAC2-(4-chlorophenyl)-N-cyclopentyl-2-[3-hydroxypropyl-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]amino]acetamide
SMILESCc1ccc(-c2nnn(CC(=O)N(CCCO)C(C(=O)NC3CCCC3)c3ccc(Cl)cc3)n2)o1
InChIInChI=1S/C24H29ClN6O4/c1-16-7-12-20(35-16)23-27-29-31(28-23)15-21(33)30(13-4-14-32)22(17-8-10-18(25)11-9-17)24(34)26-19-5-2-3-6-19/h7-12,19,22,32H,2-6,13-15H2,1H3,(H,26,34)
InChIKeyAWODRHKYLYHHBF-UHFFFAOYSA-N
MW500.99 g/mol
LogP2.91
Rot. Bonds10

About 2-(4-chlorophenyl)-N-cyclopentyl-2-[3-hydroxypropyl-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]amino]acetamide

2-(4-chlorophenyl)-N-cyclopentyl-2-[3-hydroxypropyl-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]amino]acetamide (PubChem CID 3180146) has the molecular formula C24H29ClN6O4 and a molecular weight of 500.99 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-N-cyclopentyl-2-[3-hydroxypropyl-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]amino]acetamide.

Molecular Properties

Compound Name2-(4-chlorophenyl)-N-cyclopentyl-2-[3-hydroxypropyl-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]amino]acetamide
PubChem CID3180146
Molecular FormulaC24H29ClN6O4
Molecular Weight500.99 g/mol
Exact Mass500.19
IUPAC Name2-(4-chlorophenyl)-N-cyclopentyl-2-[3-hydroxypropyl-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]amino]acetamide
SMILESCc1ccc(-c2nnn(CC(=O)N(CCCO)C(C(=O)NC3CCCC3)c3ccc(Cl)cc3)n2)o1
InChIInChI=1S/C24H29ClN6O4/c1-16-7-12-20(35-16)23-27-29-31(28-23)15-21(33)30(13-4-14-32)22(17-8-10-18(25)11-9-17)24(34)26-19-5-2-3-6-19/h7-12,19,22,32H,2-6,13-15H2,1H3,(H,26,34)
InChIKeyAWODRHKYLYHHBF-UHFFFAOYSA-N
XLogP2.91
TPSA126.38 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500500.99
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

N-tert-Butyl-2-(4-fluoro-phenyl)-2-[{2-[5-(5-methyl-furan-2-yl)-tetrazol-2-yl]-acetyl}-(tetrahydro-furan-2-ylmethyl)-amino]-acetamide
CID 651396
2-[5-(4-chlorophenyl)-2H-tetrazol-2-yl]-N-(2-furylmethyl)acetamide
CID 863227
N-Cyclopentyl-2-(4-fluoro-phenyl)-2-[{2-[5-(5-methyl-furan-2-yl)-tetrazol-2-yl]-acetyl}-(tetrahydro-furan-2-ylmethyl)-amino]-acetamide
CID 3174716
N-Cyclohexyl-2-(4-fluoro-phenyl)-2-[{2-[5-(5-methyl-furan-2-yl)-tetrazol-2-yl]-acetyl}-(tetrahydro-furan-2-ylmethyl)-amino]-acetamide
CID 3174854
2-(4-Fluoro-phenyl)-2-[{2-[5-(5-methyl-furan-2-yl)-tetrazol-2-yl]-acetyl}-(tetrahydro-furan-2-ylmethyl)-amino]-N-(tetrahydro-furan-2-ylmethyl)-acetamide
CID 3175006
N-cyclopentyl-2-[[2-[5-(4-fluorophenyl)-2-tetrazolyl]-1-oxoethyl]-(2-furanylmethyl)amino]hexanamide
CID 3180044
N-Cyclopentyl-2-((3-hydroxy-propyl)-{2-[5-(5-methyl-furan-2-yl)-tetrazol-2-yl]-acetyl}-amino)-2-(4-methoxy-phenyl)-acetamide
CID 3180241
N-cyclopentyl-2-(4-methoxyphenyl)-2-[[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]-(oxolan-2-ylmethyl)amino]acetamide
CID 3180246
N-Cyclopentyl-2-{furan-2-ylmethyl-[2-(5-p-tolyl-tetrazol-2-yl)-acetyl]-amino}-butyramide
CID 645382
N-tert-Butyl-2-[{2-[5-(5-methyl-furan-2-yl)-tetrazol-2-yl]-acetyl}-(tetrahydro-furan-2-ylmethyl)-amino]-2-p-tolyl-acetamide
CID 652215
N-Cyclopentyl-2-((2-diethylamino-ethyl)-{2-[5-(5-methyl-furan-2-yl)-tetrazol-2-yl]-acetyl}-amino)-2-(4-fluoro-phenyl)-acetamide
CID 3174706
N-cyclopentyl-2-(4-hydroxyphenyl)-2-[[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]-(oxolan-2-ylmethyl)amino]acetamide
CID 3180205

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-N-cyclopentyl-2-[3-hydroxypropyl-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]amino]acetamide?
The IUPAC name of 2-(4-chlorophenyl)-N-cyclopentyl-2-[3-hydroxypropyl-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]amino]acetamide (CID 3180146) is 2-(4-chlorophenyl)-N-cyclopentyl-2-[3-hydroxypropyl-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]amino]acetamide.
What is the SMILES notation for 2-(4-chlorophenyl)-N-cyclopentyl-2-[3-hydroxypropyl-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]amino]acetamide?
The canonical SMILES for 2-(4-chlorophenyl)-N-cyclopentyl-2-[3-hydroxypropyl-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]amino]acetamide is Cc1ccc(-c2nnn(CC(=O)N(CCCO)C(C(=O)NC3CCCC3)c3ccc(Cl)cc3)n2)o1.
What is the InChIKey of 2-(4-chlorophenyl)-N-cyclopentyl-2-[3-hydroxypropyl-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]amino]acetamide?
The InChIKey is AWODRHKYLYHHBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29ClN6O4/c1-16-7-12-20(35-16)23-27-29-31(28-23)15-21(33)30(13-4-14-32)22(17-8-10-18(25)11-9-17)24(34)26-19-5-2-3-6-19/h7-12,19,22,32H,2-6,13-15H2,1H3,(H,26,34).
What are the key properties of 2-(4-chlorophenyl)-N-cyclopentyl-2-[3-hydroxypropyl-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]amino]acetamide?
2-(4-chlorophenyl)-N-cyclopentyl-2-[3-hydroxypropyl-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]amino]acetamide has a molecular weight of 500.99 g/mol, XLogP of 2.91, 10 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-N-cyclopentyl-2-[3-hydroxypropyl-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]amino]acetamide is sourced from PubChem (CID 3180146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).