2-methoxyethyl N'-[(2S)-5-(diethylamino)pentan-2-yl]-N-(2-fluorobenzoyl)carbamimidate

C20H32FN3O3 — CID 7249897

IUPAC2-methoxyethyl N'-[(2S)-5-(diethylamino)pentan-2-yl]-N-(2-fluorobenzoyl)carbamimidate
SMILESCCN(CC)CCC[C@H](C)/N=C(/NC(=O)c1ccccc1F)OCCOC
InChIInChI=1S/C20H32FN3O3/c1-5-24(6-2)13-9-10-16(3)22-20(27-15-14-26-4)23-19(25)17-11-7-8-12-18(17)21/h7-8,11-12,16H,5-6,9-10,13-15H2,1-4H3,(H,22,23,25)/t16-/m0/s1
InChIKeyQNDNDXCJSIYAAT-INIZCTEOSA-N
MW381.49 g/mol
LogP3.09
Rot. Bonds11

About 2-methoxyethyl N'-[(2S)-5-(diethylamino)pentan-2-yl]-N-(2-fluorobenzoyl)carbamimidate

2-methoxyethyl N'-[(2S)-5-(diethylamino)pentan-2-yl]-N-(2-fluorobenzoyl)carbamimidate (PubChem CID 7249897) has the molecular formula C20H32FN3O3 and a molecular weight of 381.49 g/mol. Its IUPAC name is 2-methoxyethyl N'-[(2S)-5-(diethylamino)pentan-2-yl]-N-(2-fluorobenzoyl)carbamimidate.

Molecular Properties

Compound Name2-methoxyethyl N'-[(2S)-5-(diethylamino)pentan-2-yl]-N-(2-fluorobenzoyl)carbamimidate
PubChem CID7249897
Molecular FormulaC20H32FN3O3
Molecular Weight381.49 g/mol
Exact Mass381.24
IUPAC Name2-methoxyethyl N'-[(2S)-5-(diethylamino)pentan-2-yl]-N-(2-fluorobenzoyl)carbamimidate
SMILESCCN(CC)CCC[C@H](C)/N=C(/NC(=O)c1ccccc1F)OCCOC
InChIInChI=1S/C20H32FN3O3/c1-5-24(6-2)13-9-10-16(3)22-20(27-15-14-26-4)23-19(25)17-11-7-8-12-18(17)21/h7-8,11-12,16H,5-6,9-10,13-15H2,1-4H3,(H,22,23,25)/t16-/m0/s1
InChIKeyQNDNDXCJSIYAAT-INIZCTEOSA-N
XLogP3.09
TPSA63.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.49
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

propyl N-(2-chlorobenzoyl)-N'-[(2R)-5-(diethylamino)pentan-2-yl]carbamimidate
CID 7297073
methyl N-(2-chlorobenzoyl)-N'-[5-(diethylamino)pentan-2-yl]carbamimidate
CID 4551704
2-methoxyethyl N'-[(2R)-5-(diethylamino)pentan-2-yl]-N-(furan-2-carbonyl)carbamimidate
CID 7338343
2-ethoxyethyl N'-[(2R)-5-(diethylamino)pentan-2-yl]-N-(3-fluorobenzoyl)carbamimidate
CID 7349979
propyl N-(3,4-dichlorobenzoyl)-N'-[(2R)-5-(diethylamino)pentan-2-yl]carbamimidate
CID 7418573
[(4R)-4-[[ethoxy-[(2-methylbenzoyl)amino]methylidene]amino]pentyl]-diethylazanium
CID 7397613
2-ethoxyethyl N'-benzyl-N-(2-fluorobenzoyl)carbamimidate
CID 7261343
2-[3-(diethylamino)propyl-ethylamino]-1-(2-fluorophenyl)ethanone
CID 102995129
ethyl N-(2-methylbenzoyl)-N'-[(1S)-1-phenylethyl]carbamimidate
CID 7338518
2-ethoxyethyl N'-(1,3-benzodioxol-5-ylmethyl)-N-(2-fluorobenzoyl)carbamimidate
CID 46125629
N-[2-[2-(diethylamino)ethylamino]-2-oxoethyl]-2-fluorobenzamide
CID 29369017
methyl 2-[(2-fluorobenzoyl)amino]-3-methylpentanoate
CID 60645470

Frequently Asked Questions

What is the IUPAC name of 2-methoxyethyl N'-[(2S)-5-(diethylamino)pentan-2-yl]-N-(2-fluorobenzoyl)carbamimidate?
The IUPAC name of 2-methoxyethyl N'-[(2S)-5-(diethylamino)pentan-2-yl]-N-(2-fluorobenzoyl)carbamimidate (CID 7249897) is 2-methoxyethyl N'-[(2S)-5-(diethylamino)pentan-2-yl]-N-(2-fluorobenzoyl)carbamimidate.
What is the SMILES notation for 2-methoxyethyl N'-[(2S)-5-(diethylamino)pentan-2-yl]-N-(2-fluorobenzoyl)carbamimidate?
The canonical SMILES for 2-methoxyethyl N'-[(2S)-5-(diethylamino)pentan-2-yl]-N-(2-fluorobenzoyl)carbamimidate is CCN(CC)CCC[C@H](C)/N=C(/NC(=O)c1ccccc1F)OCCOC.
What is the InChIKey of 2-methoxyethyl N'-[(2S)-5-(diethylamino)pentan-2-yl]-N-(2-fluorobenzoyl)carbamimidate?
The InChIKey is QNDNDXCJSIYAAT-INIZCTEOSA-N. The full InChI is InChI=1S/C20H32FN3O3/c1-5-24(6-2)13-9-10-16(3)22-20(27-15-14-26-4)23-19(25)17-11-7-8-12-18(17)21/h7-8,11-12,16H,5-6,9-10,13-15H2,1-4H3,(H,22,23,25)/t16-/m0/s1.
What are the key properties of 2-methoxyethyl N'-[(2S)-5-(diethylamino)pentan-2-yl]-N-(2-fluorobenzoyl)carbamimidate?
2-methoxyethyl N'-[(2S)-5-(diethylamino)pentan-2-yl]-N-(2-fluorobenzoyl)carbamimidate has a molecular weight of 381.49 g/mol, XLogP of 3.09, 11 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxyethyl N'-[(2S)-5-(diethylamino)pentan-2-yl]-N-(2-fluorobenzoyl)carbamimidate is sourced from PubChem (CID 7249897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).