2-[[2-(cyclopentylamino)-2-oxoethyl]-ethylamino]-N-[(4-fluorophenyl)methyl]acetamide

C18H26FN3O2 — CID 9363380

IUPAC2-[[2-(cyclopentylamino)-2-oxoethyl]-ethylamino]-N-[(4-fluorophenyl)methyl]acetamide
SMILESCCN(CC(=O)NCc1ccc(F)cc1)CC(=O)NC1CCCC1
InChIInChI=1S/C18H26FN3O2/c1-2-22(13-18(24)21-16-5-3-4-6-16)12-17(23)20-11-14-7-9-15(19)10-8-14/h7-10,16H,2-6,11-13H2,1H3,(H,20,23)(H,21,24)
InChIKeyPBFQITVDCZVKMR-UHFFFAOYSA-N
MW335.42 g/mol
LogP1.82
Rot. Bonds8

About 2-[[2-(cyclopentylamino)-2-oxoethyl]-ethylamino]-N-[(4-fluorophenyl)methyl]acetamide

2-[[2-(cyclopentylamino)-2-oxoethyl]-ethylamino]-N-[(4-fluorophenyl)methyl]acetamide (PubChem CID 9363380) has the molecular formula C18H26FN3O2 and a molecular weight of 335.42 g/mol. Its IUPAC name is 2-[[2-(cyclopentylamino)-2-oxoethyl]-ethylamino]-N-[(4-fluorophenyl)methyl]acetamide.

Molecular Properties

Compound Name2-[[2-(cyclopentylamino)-2-oxoethyl]-ethylamino]-N-[(4-fluorophenyl)methyl]acetamide
PubChem CID9363380
Molecular FormulaC18H26FN3O2
Molecular Weight335.42 g/mol
Exact Mass335.20
IUPAC Name2-[[2-(cyclopentylamino)-2-oxoethyl]-ethylamino]-N-[(4-fluorophenyl)methyl]acetamide
SMILESCCN(CC(=O)NCc1ccc(F)cc1)CC(=O)NC1CCCC1
InChIInChI=1S/C18H26FN3O2/c1-2-22(13-18(24)21-16-5-3-4-6-16)12-17(23)20-11-14-7-9-15(19)10-8-14/h7-10,16H,2-6,11-13H2,1H3,(H,20,23)(H,21,24)
InChIKeyPBFQITVDCZVKMR-UHFFFAOYSA-N
XLogP1.82
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.42
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-Benzyl-4-(isopropylamino)piperidine-4-carboxamide
CID 70573
(1S)-1-Cyclopropyl-2-[(2S)-4-(2,5-difluorophenyl)-2-phenyl-2,5-dihydro-1H-pyrrol-1-YL]-2-oxoethanamine
CID 6102824
N-benzyl-5-oxopyrrolidine-2-carboxamide
CID 3519775
Acetamide, N-benzyl-2-(1-pyrrolidinyl)-, hydrochloride
CID 2959243
N,N'-Dibenzyloxamide
CID 219253
(2S)-1-[(3R)-3-amino-4-(2-fluorophenyl)butanoyl]-N-benzylpyrrolidine-2-carboxamide
CID 10178009
Smac peptido-mimetic 1
CID 11200722
3-[2-(2-cyano-(S)-pyrrolidin-1-yl)-2-oxoethylamino]-N-(1-phenylpropyl)propionamide
CID 11580945
N-Benzyl-3-[2-(2-cyano-(S)-pyrrolidin-1-yl)-2-oxoethylamino]-propionamide
CID 11645337
Ksp-IA
CID 24901494
(1S)-1-{[(2S)-4-(2,5-difluorophenyl)-2-phenyl-2,5-dihydro-1H-pyrrol-1-yl]carbonyl}-2,2-dimethylpropylamine
CID 24901496
(R)-N-Benzyl-2-(2,5-dioxopyrrolidin-1-yl)propanamide
CID 155213164

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(cyclopentylamino)-2-oxoethyl]-ethylamino]-N-[(4-fluorophenyl)methyl]acetamide?
The IUPAC name of 2-[[2-(cyclopentylamino)-2-oxoethyl]-ethylamino]-N-[(4-fluorophenyl)methyl]acetamide (CID 9363380) is 2-[[2-(cyclopentylamino)-2-oxoethyl]-ethylamino]-N-[(4-fluorophenyl)methyl]acetamide.
What is the SMILES notation for 2-[[2-(cyclopentylamino)-2-oxoethyl]-ethylamino]-N-[(4-fluorophenyl)methyl]acetamide?
The canonical SMILES for 2-[[2-(cyclopentylamino)-2-oxoethyl]-ethylamino]-N-[(4-fluorophenyl)methyl]acetamide is CCN(CC(=O)NCc1ccc(F)cc1)CC(=O)NC1CCCC1.
What is the InChIKey of 2-[[2-(cyclopentylamino)-2-oxoethyl]-ethylamino]-N-[(4-fluorophenyl)methyl]acetamide?
The InChIKey is PBFQITVDCZVKMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26FN3O2/c1-2-22(13-18(24)21-16-5-3-4-6-16)12-17(23)20-11-14-7-9-15(19)10-8-14/h7-10,16H,2-6,11-13H2,1H3,(H,20,23)(H,21,24).
What are the key properties of 2-[[2-(cyclopentylamino)-2-oxoethyl]-ethylamino]-N-[(4-fluorophenyl)methyl]acetamide?
2-[[2-(cyclopentylamino)-2-oxoethyl]-ethylamino]-N-[(4-fluorophenyl)methyl]acetamide has a molecular weight of 335.42 g/mol, XLogP of 1.82, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(cyclopentylamino)-2-oxoethyl]-ethylamino]-N-[(4-fluorophenyl)methyl]acetamide is sourced from PubChem (CID 9363380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).