2-[[2-(tert-butylamino)-2-oxoethyl]-methylamino]-N-[[1-(4-fluorophenyl)cyclopentyl]methyl]acetamide

C21H32FN3O2 — CID 87014302

IUPAC2-[[2-(tert-butylamino)-2-oxoethyl]-methylamino]-N-[[1-(4-fluorophenyl)cyclopentyl]methyl]acetamide
SMILESCN(CC(=O)NCC1(c2ccc(F)cc2)CCCC1)CC(=O)NC(C)(C)C
InChIInChI=1S/C21H32FN3O2/c1-20(2,3)24-19(27)14-25(4)13-18(26)23-15-21(11-5-6-12-21)16-7-9-17(22)10-8-16/h7-10H,5-6,11-15H2,1-4H3,(H,23,26)(H,24,27)
InChIKeyHDTDPCPEOLJXPK-UHFFFAOYSA-N
MW377.50 g/mol
LogP2.60
Rot. Bonds7

About 2-[[2-(tert-butylamino)-2-oxoethyl]-methylamino]-N-[[1-(4-fluorophenyl)cyclopentyl]methyl]acetamide

2-[[2-(tert-butylamino)-2-oxoethyl]-methylamino]-N-[[1-(4-fluorophenyl)cyclopentyl]methyl]acetamide (PubChem CID 87014302) has the molecular formula C21H32FN3O2 and a molecular weight of 377.50 g/mol. Its IUPAC name is 2-[[2-(tert-butylamino)-2-oxoethyl]-methylamino]-N-[[1-(4-fluorophenyl)cyclopentyl]methyl]acetamide.

Molecular Properties

Compound Name2-[[2-(tert-butylamino)-2-oxoethyl]-methylamino]-N-[[1-(4-fluorophenyl)cyclopentyl]methyl]acetamide
PubChem CID87014302
Molecular FormulaC21H32FN3O2
Molecular Weight377.50 g/mol
Exact Mass377.25
IUPAC Name2-[[2-(tert-butylamino)-2-oxoethyl]-methylamino]-N-[[1-(4-fluorophenyl)cyclopentyl]methyl]acetamide
SMILESCN(CC(=O)NCC1(c2ccc(F)cc2)CCCC1)CC(=O)NC(C)(C)C
InChIInChI=1S/C21H32FN3O2/c1-20(2,3)24-19(27)14-25(4)13-18(26)23-15-21(11-5-6-12-21)16-7-9-17(22)10-8-16/h7-10H,5-6,11-15H2,1-4H3,(H,23,26)(H,24,27)
InChIKeyHDTDPCPEOLJXPK-UHFFFAOYSA-N
XLogP2.60
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.50
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(dimethylamino)-N-[[1-(4-fluorophenyl)cyclopropyl]methyl]acetamide
CID 110479728
2-[(4-fluorophenyl)sulfonyl-methylamino]-N-[(1-phenylcyclohexyl)methyl]acetamide
CID 32545358
2-[(4-fluorophenyl)sulfonyl-methylamino]-N-[(1-phenylcyclobutyl)methyl]acetamide
CID 46700398
N-[[1-(4-fluorophenyl)cyclobutyl]methyl]-2-methylpropan-2-amine
CID 62595679
3-ethoxy-N-[[1-(4-fluorophenyl)cyclohexyl]methyl]propanamide
CID 56500429
N-[[1-(4-fluorophenyl)cyclopentyl]methyl]-3-propan-2-yloxypropanamide
CID 86994816
4-amino-N-[[1-(4-fluorophenyl)cyclohexyl]methyl]pentanamide;hydrochloride
CID 120561267
N-[[1-(4-fluorophenyl)cyclopentyl]methyl]-5-methyl-2H-triazole-4-carboxamide
CID 122559279
2-methyl-3-[methyl-[2-oxo-2-[(1-phenylcyclohexyl)methylamino]ethyl]amino]propanoic acid
CID 122120195
N-[[1-(4-fluorophenyl)cyclopropyl]methyl]-2-(methylamino)acetamide;hydrochloride
CID 119731211
2-(cyclopropylmethylamino)-N-[[1-(4-fluorophenyl)cyclopentyl]methyl]acetamide;hydrochloride
CID 119731159
4-amino-N-[[1-(4-fluorophenyl)cyclobutyl]methyl]pentanamide;hydrochloride
CID 120561735

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(tert-butylamino)-2-oxoethyl]-methylamino]-N-[[1-(4-fluorophenyl)cyclopentyl]methyl]acetamide?
The IUPAC name of 2-[[2-(tert-butylamino)-2-oxoethyl]-methylamino]-N-[[1-(4-fluorophenyl)cyclopentyl]methyl]acetamide (CID 87014302) is 2-[[2-(tert-butylamino)-2-oxoethyl]-methylamino]-N-[[1-(4-fluorophenyl)cyclopentyl]methyl]acetamide.
What is the SMILES notation for 2-[[2-(tert-butylamino)-2-oxoethyl]-methylamino]-N-[[1-(4-fluorophenyl)cyclopentyl]methyl]acetamide?
The canonical SMILES for 2-[[2-(tert-butylamino)-2-oxoethyl]-methylamino]-N-[[1-(4-fluorophenyl)cyclopentyl]methyl]acetamide is CN(CC(=O)NCC1(c2ccc(F)cc2)CCCC1)CC(=O)NC(C)(C)C.
What is the InChIKey of 2-[[2-(tert-butylamino)-2-oxoethyl]-methylamino]-N-[[1-(4-fluorophenyl)cyclopentyl]methyl]acetamide?
The InChIKey is HDTDPCPEOLJXPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H32FN3O2/c1-20(2,3)24-19(27)14-25(4)13-18(26)23-15-21(11-5-6-12-21)16-7-9-17(22)10-8-16/h7-10H,5-6,11-15H2,1-4H3,(H,23,26)(H,24,27).
What are the key properties of 2-[[2-(tert-butylamino)-2-oxoethyl]-methylamino]-N-[[1-(4-fluorophenyl)cyclopentyl]methyl]acetamide?
2-[[2-(tert-butylamino)-2-oxoethyl]-methylamino]-N-[[1-(4-fluorophenyl)cyclopentyl]methyl]acetamide has a molecular weight of 377.50 g/mol, XLogP of 2.60, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(tert-butylamino)-2-oxoethyl]-methylamino]-N-[[1-(4-fluorophenyl)cyclopentyl]methyl]acetamide is sourced from PubChem (CID 87014302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).