2-methoxyethyl N'-[(2R)-5-(diethylamino)pentan-2-yl]-N-(furan-2-carbonyl)carbamimidate

C18H31N3O4 — CID 7338343

IUPAC2-methoxyethyl N'-[(2R)-5-(diethylamino)pentan-2-yl]-N-(furan-2-carbonyl)carbamimidate
SMILESCCN(CC)CCC[C@@H](C)/N=C(/NC(=O)c1ccco1)OCCOC
InChIInChI=1S/C18H31N3O4/c1-5-21(6-2)11-7-9-15(3)19-18(25-14-13-23-4)20-17(22)16-10-8-12-24-16/h8,10,12,15H,5-7,9,11,13-14H2,1-4H3,(H,19,20,22)/t15-/m1/s1
InChIKeyILSDJIVKPTZDGZ-OAHLLOKOSA-N
MW353.46 g/mol
LogP2.54
Rot. Bonds11

About 2-methoxyethyl N'-[(2R)-5-(diethylamino)pentan-2-yl]-N-(furan-2-carbonyl)carbamimidate

2-methoxyethyl N'-[(2R)-5-(diethylamino)pentan-2-yl]-N-(furan-2-carbonyl)carbamimidate (PubChem CID 7338343) has the molecular formula C18H31N3O4 and a molecular weight of 353.46 g/mol. Its IUPAC name is 2-methoxyethyl N'-[(2R)-5-(diethylamino)pentan-2-yl]-N-(furan-2-carbonyl)carbamimidate.

Molecular Properties

Compound Name2-methoxyethyl N'-[(2R)-5-(diethylamino)pentan-2-yl]-N-(furan-2-carbonyl)carbamimidate
PubChem CID7338343
Molecular FormulaC18H31N3O4
Molecular Weight353.46 g/mol
Exact Mass353.23
IUPAC Name2-methoxyethyl N'-[(2R)-5-(diethylamino)pentan-2-yl]-N-(furan-2-carbonyl)carbamimidate
SMILESCCN(CC)CCC[C@@H](C)/N=C(/NC(=O)c1ccco1)OCCOC
InChIInChI=1S/C18H31N3O4/c1-5-21(6-2)11-7-9-15(3)19-18(25-14-13-23-4)20-17(22)16-10-8-12-24-16/h8,10,12,15H,5-7,9,11,13-14H2,1-4H3,(H,19,20,22)/t15-/m1/s1
InChIKeyILSDJIVKPTZDGZ-OAHLLOKOSA-N
XLogP2.54
TPSA76.30 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.46
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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

2-methoxyethyl N'-[(2S)-5-(diethylamino)pentan-2-yl]-N-(2-fluorobenzoyl)carbamimidate
CID 7249897
propyl N-(2-chlorobenzoyl)-N'-[(2R)-5-(diethylamino)pentan-2-yl]carbamimidate
CID 7297073
ethyl N'-[(2S)-butan-2-yl]-N-(furan-2-carbonyl)carbamimidate
CID 7439494
methyl N-(2-chlorobenzoyl)-N'-[5-(diethylamino)pentan-2-yl]carbamimidate
CID 4551704
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
N-[2-[[[5-(diethylamino)pentan-2-ylamino]-(ethylamino)methylidene]amino]ethyl]furan-2-carboxamide
CID 110999019
2-methylpropyl N-(furan-2-carbonyl)-N'-(3-methylbutyl)carbamimidate
CID 7297610
propan-2-yl N-(furan-2-carbonyl)-N'-(3-phenylpropyl)carbamimidate
CID 4235851
N-[4-[[[[5-(diethylamino)pentan-2-ylamino]-(ethylamino)methylidene]amino]methyl]phenyl]furan-2-carboxamide
CID 110998169
N-[4-[[[N-[5-(diethylamino)pentan-2-yl]-N'-methylcarbamimidoyl]amino]methyl]phenyl]furan-2-carboxamide
CID 110998167
2-methylpropyl N'-[2-(3,4-dimethoxyphenyl)ethyl]-N-(furan-2-carbonyl)carbamimidate
CID 7347954

Frequently Asked Questions

What is the IUPAC name of 2-methoxyethyl N'-[(2R)-5-(diethylamino)pentan-2-yl]-N-(furan-2-carbonyl)carbamimidate?
The IUPAC name of 2-methoxyethyl N'-[(2R)-5-(diethylamino)pentan-2-yl]-N-(furan-2-carbonyl)carbamimidate (CID 7338343) is 2-methoxyethyl N'-[(2R)-5-(diethylamino)pentan-2-yl]-N-(furan-2-carbonyl)carbamimidate.
What is the SMILES notation for 2-methoxyethyl N'-[(2R)-5-(diethylamino)pentan-2-yl]-N-(furan-2-carbonyl)carbamimidate?
The canonical SMILES for 2-methoxyethyl N'-[(2R)-5-(diethylamino)pentan-2-yl]-N-(furan-2-carbonyl)carbamimidate is CCN(CC)CCC[C@@H](C)/N=C(/NC(=O)c1ccco1)OCCOC.
What is the InChIKey of 2-methoxyethyl N'-[(2R)-5-(diethylamino)pentan-2-yl]-N-(furan-2-carbonyl)carbamimidate?
The InChIKey is ILSDJIVKPTZDGZ-OAHLLOKOSA-N. The full InChI is InChI=1S/C18H31N3O4/c1-5-21(6-2)11-7-9-15(3)19-18(25-14-13-23-4)20-17(22)16-10-8-12-24-16/h8,10,12,15H,5-7,9,11,13-14H2,1-4H3,(H,19,20,22)/t15-/m1/s1.
What are the key properties of 2-methoxyethyl N'-[(2R)-5-(diethylamino)pentan-2-yl]-N-(furan-2-carbonyl)carbamimidate?
2-methoxyethyl N'-[(2R)-5-(diethylamino)pentan-2-yl]-N-(furan-2-carbonyl)carbamimidate has a molecular weight of 353.46 g/mol, XLogP of 2.54, 11 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxyethyl N'-[(2R)-5-(diethylamino)pentan-2-yl]-N-(furan-2-carbonyl)carbamimidate is sourced from PubChem (CID 7338343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).