ethyl 2-[[2-(cyclopentylamino)-1-(furan-2-yl)-2-oxoethyl]-[2-[5-(4-methylphenyl)tetrazol-2-yl]acetyl]amino]acetate

C25H30N6O5 — CID 3594329

IUPACethyl 2-[[2-(cyclopentylamino)-1-(furan-2-yl)-2-oxoethyl]-[2-[5-(4-methylphenyl)tetrazol-2-yl]acetyl]amino]acetate
SMILESCCOC(=O)CN(C(=O)Cn1nnc(-c2ccc(C)cc2)n1)C(C(=O)NC1CCCC1)c1ccco1
InChIInChI=1S/C25H30N6O5/c1-3-35-22(33)16-30(23(20-9-6-14-36-20)25(34)26-19-7-4-5-8-19)21(32)15-31-28-24(27-29-31)18-12-10-17(2)11-13-18/h6,9-14,19,23H,3-5,7-8,15-16H2,1-2H3,(H,26,34)
InChIKeyASSVGFXHTYHKJD-UHFFFAOYSA-N
MW494.55 g/mol
LogP2.43
Rot. Bonds10

About ethyl 2-[[2-(cyclopentylamino)-1-(furan-2-yl)-2-oxoethyl]-[2-[5-(4-methylphenyl)tetrazol-2-yl]acetyl]amino]acetate

ethyl 2-[[2-(cyclopentylamino)-1-(furan-2-yl)-2-oxoethyl]-[2-[5-(4-methylphenyl)tetrazol-2-yl]acetyl]amino]acetate (PubChem CID 3594329) has the molecular formula C25H30N6O5 and a molecular weight of 494.55 g/mol. Its IUPAC name is ethyl 2-[[2-(cyclopentylamino)-1-(furan-2-yl)-2-oxoethyl]-[2-[5-(4-methylphenyl)tetrazol-2-yl]acetyl]amino]acetate.

Molecular Properties

Compound Nameethyl 2-[[2-(cyclopentylamino)-1-(furan-2-yl)-2-oxoethyl]-[2-[5-(4-methylphenyl)tetrazol-2-yl]acetyl]amino]acetate
PubChem CID3594329
Molecular FormulaC25H30N6O5
Molecular Weight494.55 g/mol
Exact Mass494.23
IUPAC Nameethyl 2-[[2-(cyclopentylamino)-1-(furan-2-yl)-2-oxoethyl]-[2-[5-(4-methylphenyl)tetrazol-2-yl]acetyl]amino]acetate
SMILESCCOC(=O)CN(C(=O)Cn1nnc(-c2ccc(C)cc2)n1)C(C(=O)NC1CCCC1)c1ccco1
InChIInChI=1S/C25H30N6O5/c1-3-35-22(33)16-30(23(20-9-6-14-36-20)25(34)26-19-7-4-5-8-19)21(32)15-31-28-24(27-29-31)18-12-10-17(2)11-13-18/h6,9-14,19,23H,3-5,7-8,15-16H2,1-2H3,(H,26,34)
InChIKeyASSVGFXHTYHKJD-UHFFFAOYSA-N
XLogP2.43
TPSA132.45 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds10
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500494.55
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze ethyl 2-[[2-(cyclopentylamino)-1-(furan-2-yl)-2-oxoethyl]-[2-[5-(4-methylphenyl)tetrazol-2-yl]acetyl]amino]acetate with MolForge

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Related Compounds

ethyl 2-[[2-(cyclohexylamino)-1-(furan-2-yl)-2-oxoethyl]-[2-[5-(4-methoxyphenyl)tetrazol-2-yl]acetyl]amino]acetate
CID 3174888
(2S)-N-cyclopentyl-2-(furan-2-yl)-2-[(4-methoxyphenyl)methyl-[2-[5-(4-methylphenyl)tetrazol-2-yl]acetyl]amino]acetamide
CID 25448048
(2S)-N-cyclopentyl-2-(furan-2-yl)-2-[furan-2-ylmethyl-[2-[5-(4-methoxyphenyl)tetrazol-2-yl]acetyl]amino]acetamide
CID 6550839
N-cyclopentyl-2-[3-ethoxypropyl-[2-[5-(4-methoxyphenyl)tetrazol-2-yl]acetyl]amino]-2-(furan-2-yl)acetamide
CID 3174741
(2R)-N-cyclopentyl-2-[3-ethoxypropyl-[2-[5-(4-methoxyphenyl)tetrazol-2-yl]acetyl]amino]-2-(furan-2-yl)acetamide
CID 40629182
(2S)-N-cyclohexyl-2-[3-ethoxypropyl-[2-[5-(4-methoxyphenyl)tetrazol-2-yl]acetyl]amino]-2-(furan-2-yl)acetamide
CID 40629136
(2R)-N-cyclohexyl-2-(furan-2-yl)-2-[[2-[5-(4-methoxyphenyl)tetrazol-2-yl]acetyl]-[[(2S)-oxolan-2-yl]methyl]amino]acetamide
CID 1144364
N-cyclopentyl-2-(N-[2-[5-(4-fluorophenyl)tetrazol-2-yl]acetyl]-3-methylanilino)-2-(furan-2-yl)acetamide
CID 3688712
N-cyclopentyl-2-[furan-2-ylmethyl-[2-[5-(4-methylphenyl)tetrazol-2-yl]acetyl]amino]-2-(4-hydroxyphenyl)acetamide
CID 3180209
N-cyclohexyl-2-[[2-[5-(3,4-dimethoxyphenyl)tetrazol-2-yl]acetyl]-(3-ethoxypropyl)amino]-2-(furan-2-yl)acetamide
CID 3174886
(2R)-N-cyclopentyl-2-(furan-2-yl)-2-(N-[2-[5-(4-methoxyphenyl)tetrazol-2-yl]acetyl]-2-methylanilino)acetamide
CID 25448152
N-cyclohexyl-2-[[2-[5-(3,4-dimethoxyphenyl)tetrazol-2-yl]acetyl]-(oxolan-2-ylmethyl)amino]-2-(furan-2-yl)acetamide
CID 3174893

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[[2-(cyclopentylamino)-1-(furan-2-yl)-2-oxoethyl]-[2-[5-(4-methylphenyl)tetrazol-2-yl]acetyl]amino]acetate?
The IUPAC name of ethyl 2-[[2-(cyclopentylamino)-1-(furan-2-yl)-2-oxoethyl]-[2-[5-(4-methylphenyl)tetrazol-2-yl]acetyl]amino]acetate (CID 3594329) is ethyl 2-[[2-(cyclopentylamino)-1-(furan-2-yl)-2-oxoethyl]-[2-[5-(4-methylphenyl)tetrazol-2-yl]acetyl]amino]acetate.
What is the SMILES notation for ethyl 2-[[2-(cyclopentylamino)-1-(furan-2-yl)-2-oxoethyl]-[2-[5-(4-methylphenyl)tetrazol-2-yl]acetyl]amino]acetate?
The canonical SMILES for ethyl 2-[[2-(cyclopentylamino)-1-(furan-2-yl)-2-oxoethyl]-[2-[5-(4-methylphenyl)tetrazol-2-yl]acetyl]amino]acetate is CCOC(=O)CN(C(=O)Cn1nnc(-c2ccc(C)cc2)n1)C(C(=O)NC1CCCC1)c1ccco1.
What is the InChIKey of ethyl 2-[[2-(cyclopentylamino)-1-(furan-2-yl)-2-oxoethyl]-[2-[5-(4-methylphenyl)tetrazol-2-yl]acetyl]amino]acetate?
The InChIKey is ASSVGFXHTYHKJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N6O5/c1-3-35-22(33)16-30(23(20-9-6-14-36-20)25(34)26-19-7-4-5-8-19)21(32)15-31-28-24(27-29-31)18-12-10-17(2)11-13-18/h6,9-14,19,23H,3-5,7-8,15-16H2,1-2H3,(H,26,34).
What are the key properties of ethyl 2-[[2-(cyclopentylamino)-1-(furan-2-yl)-2-oxoethyl]-[2-[5-(4-methylphenyl)tetrazol-2-yl]acetyl]amino]acetate?
ethyl 2-[[2-(cyclopentylamino)-1-(furan-2-yl)-2-oxoethyl]-[2-[5-(4-methylphenyl)tetrazol-2-yl]acetyl]amino]acetate has a molecular weight of 494.55 g/mol, XLogP of 2.43, 10 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[[2-(cyclopentylamino)-1-(furan-2-yl)-2-oxoethyl]-[2-[5-(4-methylphenyl)tetrazol-2-yl]acetyl]amino]acetate is sourced from PubChem (CID 3594329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).