N-[2-(cyclohexylamino)-2-oxoethyl]-N-(2,3-dimethylphenyl)-2-[5-(4-fluorophenyl)tetrazol-2-yl]acetamide

C25H29FN6O2 — CID 1153924

IUPACN-[2-(cyclohexylamino)-2-oxoethyl]-N-(2,3-dimethylphenyl)-2-[5-(4-fluorophenyl)tetrazol-2-yl]acetamide
SMILESCc1cccc(N(CC(=O)NC2CCCCC2)C(=O)Cn2nnc(-c3ccc(F)cc3)n2)c1C
InChIInChI=1S/C25H29FN6O2/c1-17-7-6-10-22(18(17)2)31(15-23(33)27-21-8-4-3-5-9-21)24(34)16-32-29-25(28-30-32)19-11-13-20(26)14-12-19/h6-7,10-14,21H,3-5,8-9,15-16H2,1-2H3,(H,27,33)
InChIKeyKSEDLRWUDJHGSU-UHFFFAOYSA-N
MW464.55 g/mol
LogP3.58
Rot. Bonds7

About N-[2-(cyclohexylamino)-2-oxoethyl]-N-(2,3-dimethylphenyl)-2-[5-(4-fluorophenyl)tetrazol-2-yl]acetamide

N-[2-(cyclohexylamino)-2-oxoethyl]-N-(2,3-dimethylphenyl)-2-[5-(4-fluorophenyl)tetrazol-2-yl]acetamide (PubChem CID 1153924) has the molecular formula C25H29FN6O2 and a molecular weight of 464.55 g/mol. Its IUPAC name is N-[2-(cyclohexylamino)-2-oxoethyl]-N-(2,3-dimethylphenyl)-2-[5-(4-fluorophenyl)tetrazol-2-yl]acetamide.

Molecular Properties

Compound NameN-[2-(cyclohexylamino)-2-oxoethyl]-N-(2,3-dimethylphenyl)-2-[5-(4-fluorophenyl)tetrazol-2-yl]acetamide
PubChem CID1153924
Molecular FormulaC25H29FN6O2
Molecular Weight464.55 g/mol
Exact Mass464.23
IUPAC NameN-[2-(cyclohexylamino)-2-oxoethyl]-N-(2,3-dimethylphenyl)-2-[5-(4-fluorophenyl)tetrazol-2-yl]acetamide
SMILESCc1cccc(N(CC(=O)NC2CCCCC2)C(=O)Cn2nnc(-c3ccc(F)cc3)n2)c1C
InChIInChI=1S/C25H29FN6O2/c1-17-7-6-10-22(18(17)2)31(15-23(33)27-21-8-4-3-5-9-21)24(34)16-32-29-25(28-30-32)19-11-13-20(26)14-12-19/h6-7,10-14,21H,3-5,8-9,15-16H2,1-2H3,(H,27,33)
InChIKeyKSEDLRWUDJHGSU-UHFFFAOYSA-N
XLogP3.58
TPSA93.01 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.55
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-(cyclopentylamino)-2-oxoethyl]-N-(2-methylphenyl)-2-[5-(4-methylphenyl)tetrazol-2-yl]acetamide
CID 3767268
N-[2-(cyclopentylamino)-2-oxoethyl]-2-[5-(4-methylphenyl)tetrazol-2-yl]-N-phenylacetamide
CID 4588687
N-[2-(cyclopentylamino)-2-oxoethyl]-N-(3-methoxyphenyl)-2-[5-(4-methylphenyl)tetrazol-2-yl]acetamide
CID 655165
N-[2-(cyclohexylamino)-2-oxoethyl]-N-(2,4-dimethoxyphenyl)-2-[5-(4-methylphenyl)tetrazol-2-yl]acetamide
CID 3180571
N-[2-(cyclohexylamino)-2-oxoethyl]-2-[5-(3,4-dimethoxyphenyl)tetrazol-2-yl]-N-(3-methylphenyl)acetamide
CID 1153910
N-[2-(cyclopentylamino)-2-oxoethyl]-N-(4-methoxyphenyl)-2-[5-(4-methylphenyl)tetrazol-2-yl]acetamide
CID 656377
2-(N-acetyl-2,3-dimethylanilino)-N-cycloheptylacetamide
CID 113168893
N-[2-(cyclohexylamino)-2-oxoethyl]-2-[5-(4-fluorophenyl)tetrazol-2-yl]-N-(3-morpholin-4-ium-4-ylpropyl)acetamide
CID 6971362
N-(1,3-benzodioxol-5-ylmethyl)-N-[2-(cyclopentylamino)-2-oxoethyl]-2-[5-(4-fluorophenyl)tetrazol-2-yl]acetamide
CID 3179721
(2R)-N-cyclopentyl-2-(4-fluoro-N-[2-[5-(4-fluorophenyl)tetrazol-2-yl]acetyl]anilino)propanamide
CID 25446251
(2S)-N-cyclohexyl-2-(4-fluorophenyl)-2-(N-[2-[5-(4-fluorophenyl)tetrazol-2-yl]acetyl]-2-methoxyanilino)acetamide
CID 98091086
(2S)-N-cyclopentyl-2-[(4-fluorophenyl)methyl-[2-[5-(4-methylphenyl)tetrazol-2-yl]acetyl]amino]propanamide
CID 25312804

Frequently Asked Questions

What is the IUPAC name of N-[2-(cyclohexylamino)-2-oxoethyl]-N-(2,3-dimethylphenyl)-2-[5-(4-fluorophenyl)tetrazol-2-yl]acetamide?
The IUPAC name of N-[2-(cyclohexylamino)-2-oxoethyl]-N-(2,3-dimethylphenyl)-2-[5-(4-fluorophenyl)tetrazol-2-yl]acetamide (CID 1153924) is N-[2-(cyclohexylamino)-2-oxoethyl]-N-(2,3-dimethylphenyl)-2-[5-(4-fluorophenyl)tetrazol-2-yl]acetamide.
What is the SMILES notation for N-[2-(cyclohexylamino)-2-oxoethyl]-N-(2,3-dimethylphenyl)-2-[5-(4-fluorophenyl)tetrazol-2-yl]acetamide?
The canonical SMILES for N-[2-(cyclohexylamino)-2-oxoethyl]-N-(2,3-dimethylphenyl)-2-[5-(4-fluorophenyl)tetrazol-2-yl]acetamide is Cc1cccc(N(CC(=O)NC2CCCCC2)C(=O)Cn2nnc(-c3ccc(F)cc3)n2)c1C.
What is the InChIKey of N-[2-(cyclohexylamino)-2-oxoethyl]-N-(2,3-dimethylphenyl)-2-[5-(4-fluorophenyl)tetrazol-2-yl]acetamide?
The InChIKey is KSEDLRWUDJHGSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29FN6O2/c1-17-7-6-10-22(18(17)2)31(15-23(33)27-21-8-4-3-5-9-21)24(34)16-32-29-25(28-30-32)19-11-13-20(26)14-12-19/h6-7,10-14,21H,3-5,8-9,15-16H2,1-2H3,(H,27,33).
What are the key properties of N-[2-(cyclohexylamino)-2-oxoethyl]-N-(2,3-dimethylphenyl)-2-[5-(4-fluorophenyl)tetrazol-2-yl]acetamide?
N-[2-(cyclohexylamino)-2-oxoethyl]-N-(2,3-dimethylphenyl)-2-[5-(4-fluorophenyl)tetrazol-2-yl]acetamide has a molecular weight of 464.55 g/mol, XLogP of 3.58, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(cyclohexylamino)-2-oxoethyl]-N-(2,3-dimethylphenyl)-2-[5-(4-fluorophenyl)tetrazol-2-yl]acetamide is sourced from PubChem (CID 1153924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).