N-[2-(tert-butylamino)-2-oxoethyl]-2-[5-(2-fluorophenyl)tetrazol-2-yl]-N-(5,6,7,8-tetrahydronaphthalen-1-yl)acetamide

C25H29FN6O2 — CID 3190063

IUPACN-[2-(tert-butylamino)-2-oxoethyl]-2-[5-(2-fluorophenyl)tetrazol-2-yl]-N-(5,6,7,8-tetrahydronaphthalen-1-yl)acetamide
SMILESCC(C)(C)NC(=O)CN(C(=O)Cn1nnc(-c2ccccc2F)n1)c1cccc2c1CCCC2
InChIInChI=1S/C25H29FN6O2/c1-25(2,3)27-22(33)15-31(21-14-8-10-17-9-4-5-11-18(17)21)23(34)16-32-29-24(28-30-32)19-12-6-7-13-20(19)26/h6-8,10,12-14H,4-5,9,11,15-16H2,1-3H3,(H,27,33)
InChIKeyHEQCGAIERBEVQT-UHFFFAOYSA-N
MW464.55 g/mol
LogP3.31
Rot. Bonds6

About N-[2-(tert-butylamino)-2-oxoethyl]-2-[5-(2-fluorophenyl)tetrazol-2-yl]-N-(5,6,7,8-tetrahydronaphthalen-1-yl)acetamide

N-[2-(tert-butylamino)-2-oxoethyl]-2-[5-(2-fluorophenyl)tetrazol-2-yl]-N-(5,6,7,8-tetrahydronaphthalen-1-yl)acetamide (PubChem CID 3190063) has the molecular formula C25H29FN6O2 and a molecular weight of 464.55 g/mol. Its IUPAC name is N-[2-(tert-butylamino)-2-oxoethyl]-2-[5-(2-fluorophenyl)tetrazol-2-yl]-N-(5,6,7,8-tetrahydronaphthalen-1-yl)acetamide.

Molecular Properties

Compound NameN-[2-(tert-butylamino)-2-oxoethyl]-2-[5-(2-fluorophenyl)tetrazol-2-yl]-N-(5,6,7,8-tetrahydronaphthalen-1-yl)acetamide
PubChem CID3190063
Molecular FormulaC25H29FN6O2
Molecular Weight464.55 g/mol
Exact Mass464.23
IUPAC NameN-[2-(tert-butylamino)-2-oxoethyl]-2-[5-(2-fluorophenyl)tetrazol-2-yl]-N-(5,6,7,8-tetrahydronaphthalen-1-yl)acetamide
SMILESCC(C)(C)NC(=O)CN(C(=O)Cn1nnc(-c2ccccc2F)n1)c1cccc2c1CCCC2
InChIInChI=1S/C25H29FN6O2/c1-25(2,3)27-22(33)15-31(21-14-8-10-17-9-4-5-11-18(17)21)23(34)16-32-29-24(28-30-32)19-12-6-7-13-20(19)26/h6-8,10,12-14H,4-5,9,11,15-16H2,1-3H3,(H,27,33)
InChIKeyHEQCGAIERBEVQT-UHFFFAOYSA-N
XLogP3.31
TPSA93.01 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.55
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

Cyclobutanecarboxylic acid (3-{2-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxo-ethyl]-2H-tetrazol-5-yl}-phenyl)-amide
CID 651981
N-(2-{2-[2-(2-Methyl-2,3-dihydro-indol-1-yl)-2-oxo-ethyl]-2H-tetrazol-5-yl}-phenyl)-propionamide
CID 650750
1-(3,4-Dihydro-2H-quinolin-1-yl)-2-(5-p-tolyl-tetrazol-2-yl)-ethanone
CID 863239
2-[5-(2-fluorophenyl)-2-tetrazolyl]-N-[2-oxo-2-[(phenylmethyl)amino]ethyl]-N-(5,6,7,8-tetrahydronaphthalen-1-yl)acetamide
CID 1143706
1-(4-fluorophenyl)-4-[(5-phenyl-2H-tetrazol-2-yl)acetyl]piperazine
CID 1264121
N-[2-[2-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]tetrazol-5-yl]phenyl]-3-methylbutanamide
CID 1440203
N-tert-Butyl-2-[{2-[5-(2-fluoro-phenyl)-tetrazol-2-yl]-acetyl}-(5,6,7,8-tetrahydro-naphthalen-1-yl)-amino]-butyramide
CID 3190066
3-amino-3-methyl-N-[(3R)-1-[[4-[2-(2-methyltetrazol-5-yl)phenyl]phenyl]methyl]-2-oxo-4,5-dihydro-3H-1-benzazepin-3-yl]butanamide
CID 18651450
N-[2-[5-[2-[4-(trifluoromethyl)anilino]phenyl]tetrazol-2-yl]ethyl]acetamide
CID 135372350
N,N-dimethyl-2-[5-[2-[4-(trifluoromethyl)anilino]phenyl]tetrazol-2-yl]acetamide
CID 135372491
2-[5-(3,5-difluorophenyl)tetrazol-2-yl]-N-(4-fluorophenyl)-N-methylacetamide
CID 169450740
N-Cyclopentylcarbamoylmethyl-2-[5-(2-fluoro-phenyl)-tetrazol-2-yl]-N-p-tolyl-acetamide
CID 3179740

Frequently Asked Questions

What is the IUPAC name of N-[2-(tert-butylamino)-2-oxoethyl]-2-[5-(2-fluorophenyl)tetrazol-2-yl]-N-(5,6,7,8-tetrahydronaphthalen-1-yl)acetamide?
The IUPAC name of N-[2-(tert-butylamino)-2-oxoethyl]-2-[5-(2-fluorophenyl)tetrazol-2-yl]-N-(5,6,7,8-tetrahydronaphthalen-1-yl)acetamide (CID 3190063) is N-[2-(tert-butylamino)-2-oxoethyl]-2-[5-(2-fluorophenyl)tetrazol-2-yl]-N-(5,6,7,8-tetrahydronaphthalen-1-yl)acetamide.
What is the SMILES notation for N-[2-(tert-butylamino)-2-oxoethyl]-2-[5-(2-fluorophenyl)tetrazol-2-yl]-N-(5,6,7,8-tetrahydronaphthalen-1-yl)acetamide?
The canonical SMILES for N-[2-(tert-butylamino)-2-oxoethyl]-2-[5-(2-fluorophenyl)tetrazol-2-yl]-N-(5,6,7,8-tetrahydronaphthalen-1-yl)acetamide is CC(C)(C)NC(=O)CN(C(=O)Cn1nnc(-c2ccccc2F)n1)c1cccc2c1CCCC2.
What is the InChIKey of N-[2-(tert-butylamino)-2-oxoethyl]-2-[5-(2-fluorophenyl)tetrazol-2-yl]-N-(5,6,7,8-tetrahydronaphthalen-1-yl)acetamide?
The InChIKey is HEQCGAIERBEVQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29FN6O2/c1-25(2,3)27-22(33)15-31(21-14-8-10-17-9-4-5-11-18(17)21)23(34)16-32-29-24(28-30-32)19-12-6-7-13-20(19)26/h6-8,10,12-14H,4-5,9,11,15-16H2,1-3H3,(H,27,33).
What are the key properties of N-[2-(tert-butylamino)-2-oxoethyl]-2-[5-(2-fluorophenyl)tetrazol-2-yl]-N-(5,6,7,8-tetrahydronaphthalen-1-yl)acetamide?
N-[2-(tert-butylamino)-2-oxoethyl]-2-[5-(2-fluorophenyl)tetrazol-2-yl]-N-(5,6,7,8-tetrahydronaphthalen-1-yl)acetamide has a molecular weight of 464.55 g/mol, XLogP of 3.31, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(tert-butylamino)-2-oxoethyl]-2-[5-(2-fluorophenyl)tetrazol-2-yl]-N-(5,6,7,8-tetrahydronaphthalen-1-yl)acetamide is sourced from PubChem (CID 3190063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).