[2-(cyclopentylcarbamoylamino)-2-oxoethyl]-ethyl-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]azanium

C19H28FN4O3+ — CID 9363347

IUPAC[2-(cyclopentylcarbamoylamino)-2-oxoethyl]-ethyl-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]azanium
SMILESCC[NH+](CC(=O)NCc1ccc(F)cc1)CC(=O)NC(=O)NC1CCCC1
InChIInChI=1S/C19H27FN4O3/c1-2-24(12-17(25)21-11-14-7-9-15(20)10-8-14)13-18(26)23-19(27)22-16-5-3-4-6-16/h7-10,16H,2-6,11-13H2,1H3,(H,21,25)(H2,22,23,26,27)/p+1
InChIKeyBCTAOWZKNHHNTQ-UHFFFAOYSA-O
MW379.46 g/mol
LogP0.12
Rot. Bonds8

About [2-(cyclopentylcarbamoylamino)-2-oxoethyl]-ethyl-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]azanium

[2-(cyclopentylcarbamoylamino)-2-oxoethyl]-ethyl-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]azanium (PubChem CID 9363347) has the molecular formula C19H28FN4O3+ and a molecular weight of 379.46 g/mol. Its IUPAC name is [2-(cyclopentylcarbamoylamino)-2-oxoethyl]-ethyl-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]azanium.

Molecular Properties

Compound Name[2-(cyclopentylcarbamoylamino)-2-oxoethyl]-ethyl-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]azanium
PubChem CID9363347
Molecular FormulaC19H28FN4O3+
Molecular Weight379.46 g/mol
Exact Mass379.21
IUPAC Name[2-(cyclopentylcarbamoylamino)-2-oxoethyl]-ethyl-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]azanium
SMILESCC[NH+](CC(=O)NCc1ccc(F)cc1)CC(=O)NC(=O)NC1CCCC1
InChIInChI=1S/C19H27FN4O3/c1-2-24(12-17(25)21-11-14-7-9-15(20)10-8-14)13-18(26)23-19(27)22-16-5-3-4-6-16/h7-10,16H,2-6,11-13H2,1H3,(H,21,25)(H2,22,23,26,27)/p+1
InChIKeyBCTAOWZKNHHNTQ-UHFFFAOYSA-O
XLogP0.12
TPSA91.74 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.46
LogP ≤ 50.12
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Analyze [2-(cyclopentylcarbamoylamino)-2-oxoethyl]-ethyl-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]azanium with MolForge

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Related Compounds

[2-(cyclopentylcarbamoylamino)-2-oxoethyl]-ethyl-[(3-fluoro-4-methoxyphenyl)methyl]azanium
CID 9349301
N-(cyclopentylcarbamoyl)-2-[(4-fluorophenyl)methyl-methylamino]acetamide
CID 9251711
[2-(2,3-dihydro-1H-inden-5-ylamino)-2-oxoethyl]-ethyl-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]azanium
CID 9465860
1-[(4-fluorophenyl)methyl]-3-[(1S,2S)-2-hydroxycyclohexyl]urea
CID 94797733
ethyl-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-[2-oxo-2-(4-phenylanilino)ethyl]azanium
CID 9465124
(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)methyl-ethyl-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]azanium
CID 2470456
[(2S)-1-(cyclohexylcarbamoylamino)-1-oxopropan-2-yl]-[(4-fluorophenyl)methyl]-methylazanium
CID 9251726
[2-(2-acetylanilino)-2-oxoethyl]-ethyl-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]azanium
CID 8010680
N-cyclohexyl-4-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]piperidine-1-carboxamide
CID 53057684
1-cyclododecyl-3-[(4-ethoxyphenyl)methyl]urea
CID 108884395
[2-(cyclopropylcarbamoylamino)-2-oxoethyl]-ethyl-[2-(2-methoxyanilino)-2-oxoethyl]azanium
CID 9029443
3-cyclohexyl-N-[(4-fluorophenyl)methyl]propanamide
CID 803650

Frequently Asked Questions

What is the IUPAC name of [2-(cyclopentylcarbamoylamino)-2-oxoethyl]-ethyl-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]azanium?
The IUPAC name of [2-(cyclopentylcarbamoylamino)-2-oxoethyl]-ethyl-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]azanium (CID 9363347) is [2-(cyclopentylcarbamoylamino)-2-oxoethyl]-ethyl-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]azanium.
What is the SMILES notation for [2-(cyclopentylcarbamoylamino)-2-oxoethyl]-ethyl-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]azanium?
The canonical SMILES for [2-(cyclopentylcarbamoylamino)-2-oxoethyl]-ethyl-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]azanium is CC[NH+](CC(=O)NCc1ccc(F)cc1)CC(=O)NC(=O)NC1CCCC1.
What is the InChIKey of [2-(cyclopentylcarbamoylamino)-2-oxoethyl]-ethyl-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]azanium?
The InChIKey is BCTAOWZKNHHNTQ-UHFFFAOYSA-O. The full InChI is InChI=1S/C19H27FN4O3/c1-2-24(12-17(25)21-11-14-7-9-15(20)10-8-14)13-18(26)23-19(27)22-16-5-3-4-6-16/h7-10,16H,2-6,11-13H2,1H3,(H,21,25)(H2,22,23,26,27)/p+1.
What are the key properties of [2-(cyclopentylcarbamoylamino)-2-oxoethyl]-ethyl-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]azanium?
[2-(cyclopentylcarbamoylamino)-2-oxoethyl]-ethyl-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]azanium has a molecular weight of 379.46 g/mol, XLogP of 0.12, 8 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(cyclopentylcarbamoylamino)-2-oxoethyl]-ethyl-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]azanium is sourced from PubChem (CID 9363347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).