N-[2-(cyclohexylamino)-2-oxoethyl]-2-[5-(4-fluorophenyl)tetrazol-2-yl]-N-(3-morpholin-4-ium-4-ylpropyl)acetamide

C24H35FN7O3+ — CID 6971362

IUPACN-[2-(cyclohexylamino)-2-oxoethyl]-2-[5-(4-fluorophenyl)tetrazol-2-yl]-N-(3-morpholin-4-ium-4-ylpropyl)acetamide
SMILESO=C(CN(CCC[NH+]1CCOCC1)C(=O)Cn1nnc(-c2ccc(F)cc2)n1)NC1CCCCC1
InChIInChI=1S/C24H34FN7O3/c25-20-9-7-19(8-10-20)24-27-29-32(28-24)18-23(34)31(12-4-11-30-13-15-35-16-14-30)17-22(33)26-21-5-2-1-3-6-21/h7-10,21H,1-6,11-18H2,(H,26,33)/p+1
InChIKeyVIHXFKZKQXPHRD-UHFFFAOYSA-O
MW488.59 g/mol
LogP0.06
Rot. Bonds10

About N-[2-(cyclohexylamino)-2-oxoethyl]-2-[5-(4-fluorophenyl)tetrazol-2-yl]-N-(3-morpholin-4-ium-4-ylpropyl)acetamide

N-[2-(cyclohexylamino)-2-oxoethyl]-2-[5-(4-fluorophenyl)tetrazol-2-yl]-N-(3-morpholin-4-ium-4-ylpropyl)acetamide (PubChem CID 6971362) has the molecular formula C24H35FN7O3+ and a molecular weight of 488.59 g/mol. Its IUPAC name is N-[2-(cyclohexylamino)-2-oxoethyl]-2-[5-(4-fluorophenyl)tetrazol-2-yl]-N-(3-morpholin-4-ium-4-ylpropyl)acetamide.

Molecular Properties

Compound NameN-[2-(cyclohexylamino)-2-oxoethyl]-2-[5-(4-fluorophenyl)tetrazol-2-yl]-N-(3-morpholin-4-ium-4-ylpropyl)acetamide
PubChem CID6971362
Molecular FormulaC24H35FN7O3+
Molecular Weight488.59 g/mol
Exact Mass488.28
IUPAC NameN-[2-(cyclohexylamino)-2-oxoethyl]-2-[5-(4-fluorophenyl)tetrazol-2-yl]-N-(3-morpholin-4-ium-4-ylpropyl)acetamide
SMILESO=C(CN(CCC[NH+]1CCOCC1)C(=O)Cn1nnc(-c2ccc(F)cc2)n1)NC1CCCCC1
InChIInChI=1S/C24H34FN7O3/c25-20-9-7-19(8-10-20)24-27-29-32(28-24)18-23(34)31(12-4-11-30-13-15-35-16-14-30)17-22(33)26-21-5-2-1-3-6-21/h7-10,21H,1-6,11-18H2,(H,26,33)/p+1
InChIKeyVIHXFKZKQXPHRD-UHFFFAOYSA-O
XLogP0.06
TPSA106.68 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500488.59
LogP ≤ 50.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-(1,3-benzodioxol-5-ylmethyl)-N-[2-(cyclopentylamino)-2-oxoethyl]-2-[5-(4-fluorophenyl)tetrazol-2-yl]acetamide
CID 3179721
N-[2-(cyclohexylamino)-2-oxoethyl]-N-(2,3-dimethylphenyl)-2-[5-(4-fluorophenyl)tetrazol-2-yl]acetamide
CID 1153924
(2S)-N-cyclopentyl-2-(4-fluorophenyl)-2-[[2-[5-(4-fluorophenyl)tetrazol-2-yl]acetyl]-[[(2S)-oxolan-2-yl]methyl]amino]acetamide
CID 25447305
(2R)-N-cyclopentyl-2-(4-fluoro-N-[2-[5-(4-fluorophenyl)tetrazol-2-yl]acetyl]anilino)propanamide
CID 25446251
2-[5-(4-chlorophenyl)tetrazol-2-yl]-N-cyclopentyl-N-[2-(cyclopentylamino)-2-oxoethyl]acetamide
CID 3179691
N-cyclohexyl-N-[2-(cyclopentylamino)-2-oxoethyl]-2-[5-(3,4-dichlorophenyl)tetrazol-2-yl]acetamide
CID 53377417
(2R)-N-cyclopentyl-2-[[2-[5-(4-fluorophenyl)tetrazol-2-yl]acetyl]-[[(2R)-oxolan-2-yl]methyl]amino]-2-(4-methylphenyl)acetamide
CID 25446712
N-[2-(cyclopentylamino)-2-oxoethyl]-2-[5-(4-methylphenyl)tetrazol-2-yl]-N-phenylacetamide
CID 4588687
N-[2-(cyclopentylamino)-2-oxoethyl]-N-(2-methylphenyl)-2-[5-(4-methylphenyl)tetrazol-2-yl]acetamide
CID 3767268
(2S)-N-cyclopentyl-2-[(4-fluorophenyl)methyl-[2-[5-(4-methylphenyl)tetrazol-2-yl]acetyl]amino]propanamide
CID 25312804
(2S)-N-cyclohexyl-2-(4-fluorophenyl)-2-[[2-[5-(4-methoxyphenyl)tetrazol-2-yl]acetyl]-[[(2S)-oxolan-2-yl]methyl]amino]acetamide
CID 1142906
N-[2-(cyclopentylamino)-2-oxoethyl]-2-[5-(4-methoxyphenyl)tetrazol-2-yl]-N-(thiophen-2-ylmethyl)acetamide
CID 3179728

Frequently Asked Questions

What is the IUPAC name of N-[2-(cyclohexylamino)-2-oxoethyl]-2-[5-(4-fluorophenyl)tetrazol-2-yl]-N-(3-morpholin-4-ium-4-ylpropyl)acetamide?
The IUPAC name of N-[2-(cyclohexylamino)-2-oxoethyl]-2-[5-(4-fluorophenyl)tetrazol-2-yl]-N-(3-morpholin-4-ium-4-ylpropyl)acetamide (CID 6971362) is N-[2-(cyclohexylamino)-2-oxoethyl]-2-[5-(4-fluorophenyl)tetrazol-2-yl]-N-(3-morpholin-4-ium-4-ylpropyl)acetamide.
What is the SMILES notation for N-[2-(cyclohexylamino)-2-oxoethyl]-2-[5-(4-fluorophenyl)tetrazol-2-yl]-N-(3-morpholin-4-ium-4-ylpropyl)acetamide?
The canonical SMILES for N-[2-(cyclohexylamino)-2-oxoethyl]-2-[5-(4-fluorophenyl)tetrazol-2-yl]-N-(3-morpholin-4-ium-4-ylpropyl)acetamide is O=C(CN(CCC[NH+]1CCOCC1)C(=O)Cn1nnc(-c2ccc(F)cc2)n1)NC1CCCCC1.
What is the InChIKey of N-[2-(cyclohexylamino)-2-oxoethyl]-2-[5-(4-fluorophenyl)tetrazol-2-yl]-N-(3-morpholin-4-ium-4-ylpropyl)acetamide?
The InChIKey is VIHXFKZKQXPHRD-UHFFFAOYSA-O. The full InChI is InChI=1S/C24H34FN7O3/c25-20-9-7-19(8-10-20)24-27-29-32(28-24)18-23(34)31(12-4-11-30-13-15-35-16-14-30)17-22(33)26-21-5-2-1-3-6-21/h7-10,21H,1-6,11-18H2,(H,26,33)/p+1.
What are the key properties of N-[2-(cyclohexylamino)-2-oxoethyl]-2-[5-(4-fluorophenyl)tetrazol-2-yl]-N-(3-morpholin-4-ium-4-ylpropyl)acetamide?
N-[2-(cyclohexylamino)-2-oxoethyl]-2-[5-(4-fluorophenyl)tetrazol-2-yl]-N-(3-morpholin-4-ium-4-ylpropyl)acetamide has a molecular weight of 488.59 g/mol, XLogP of 0.06, 10 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(cyclohexylamino)-2-oxoethyl]-2-[5-(4-fluorophenyl)tetrazol-2-yl]-N-(3-morpholin-4-ium-4-ylpropyl)acetamide is sourced from PubChem (CID 6971362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).