N-[(2S)-1-(3-ethoxypropylamino)-3-methyl-1-oxobutan-2-yl]furan-2-carboxamide

C15H24N2O4 — CID 24540679

IUPACN-[(2S)-1-(3-ethoxypropylamino)-3-methyl-1-oxobutan-2-yl]furan-2-carboxamide
SMILESCCOCCCNC(=O)[C@@H](NC(=O)c1ccco1)C(C)C
InChIInChI=1S/C15H24N2O4/c1-4-20-9-6-8-16-15(19)13(11(2)3)17-14(18)12-7-5-10-21-12/h5,7,10-11,13H,4,6,8-9H2,1-3H3,(H,16,19)(H,17,18)/t13-/m0/s1
InChIKeyHKFQBGRPAUTHEW-ZDUSSCGKSA-N
MW296.37 g/mol
LogP1.58
Rot. Bonds9

About N-[(2S)-1-(3-ethoxypropylamino)-3-methyl-1-oxobutan-2-yl]furan-2-carboxamide

N-[(2S)-1-(3-ethoxypropylamino)-3-methyl-1-oxobutan-2-yl]furan-2-carboxamide (PubChem CID 24540679) has the molecular formula C15H24N2O4 and a molecular weight of 296.37 g/mol. Its IUPAC name is N-[(2S)-1-(3-ethoxypropylamino)-3-methyl-1-oxobutan-2-yl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[(2S)-1-(3-ethoxypropylamino)-3-methyl-1-oxobutan-2-yl]furan-2-carboxamide
PubChem CID24540679
Molecular FormulaC15H24N2O4
Molecular Weight296.37 g/mol
Exact Mass296.17
IUPAC NameN-[(2S)-1-(3-ethoxypropylamino)-3-methyl-1-oxobutan-2-yl]furan-2-carboxamide
SMILESCCOCCCNC(=O)[C@@H](NC(=O)c1ccco1)C(C)C
InChIInChI=1S/C15H24N2O4/c1-4-20-9-6-8-16-15(19)13(11(2)3)17-14(18)12-7-5-10-21-12/h5,7,10-11,13H,4,6,8-9H2,1-3H3,(H,16,19)(H,17,18)/t13-/m0/s1
InChIKeyHKFQBGRPAUTHEW-ZDUSSCGKSA-N
XLogP1.58
TPSA80.57 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 51.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

methyl 4-[[(2S)-2-(furan-2-carbonylamino)-3-methylbutanoyl]amino]butanoate
CID 30590977
N-[(2S)-1-[2-(4-tert-butylphenoxy)ethylamino]-3-methyl-1-oxobutan-2-yl]furan-2-carboxamide
CID 24548381
N-[1-[3-(2-methylpropoxy)propylamino]-1-oxopropan-2-yl]furan-2-carboxamide
CID 51339268
N-[(2S,3R)-1-(dodecylamino)-3-hydroxy-1-oxobutan-2-yl]furan-2-carboxamide
CID 90112893
N-[1-(1-hydroxybutan-2-ylamino)-3-methyl-1-oxobutan-2-yl]furan-2-carboxamide
CID 110878208
N-[(2S)-1-[2-(4-fluorophenyl)ethylamino]-3-methyl-1-oxobutan-2-yl]furan-2-carboxamide
CID 9210434
N-[(2S)-1-(2-ethoxyanilino)-3-methyl-1-oxobutan-2-yl]furan-2-carboxamide
CID 7611492
N-[1-(methoxyamino)-3-methyl-1-oxobutan-2-yl]furan-2-carboxamide
CID 51279310
N-[(2S)-1-(2-benzylsulfanylethylamino)-3-methyl-1-oxobutan-2-yl]furan-2-carboxamide
CID 24548221
N-[(2R)-1-[(4-methoxyphenyl)methylamino]-3-methyl-1-oxobutan-2-yl]furan-2-carboxamide
CID 26002055
N-[3-methyl-1-oxo-1-(3-piperazin-1-ylpropylamino)butan-2-yl]furan-2-carboxamide;hydrochloride
CID 119394218
N-[1-[2-(3,4-dihydroxyphenyl)ethylamino]-3-methyl-1-oxobutan-2-yl]furan-2-carboxamide
CID 78797273

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-(3-ethoxypropylamino)-3-methyl-1-oxobutan-2-yl]furan-2-carboxamide?
The IUPAC name of N-[(2S)-1-(3-ethoxypropylamino)-3-methyl-1-oxobutan-2-yl]furan-2-carboxamide (CID 24540679) is N-[(2S)-1-(3-ethoxypropylamino)-3-methyl-1-oxobutan-2-yl]furan-2-carboxamide.
What is the SMILES notation for N-[(2S)-1-(3-ethoxypropylamino)-3-methyl-1-oxobutan-2-yl]furan-2-carboxamide?
The canonical SMILES for N-[(2S)-1-(3-ethoxypropylamino)-3-methyl-1-oxobutan-2-yl]furan-2-carboxamide is CCOCCCNC(=O)[C@@H](NC(=O)c1ccco1)C(C)C.
What is the InChIKey of N-[(2S)-1-(3-ethoxypropylamino)-3-methyl-1-oxobutan-2-yl]furan-2-carboxamide?
The InChIKey is HKFQBGRPAUTHEW-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H24N2O4/c1-4-20-9-6-8-16-15(19)13(11(2)3)17-14(18)12-7-5-10-21-12/h5,7,10-11,13H,4,6,8-9H2,1-3H3,(H,16,19)(H,17,18)/t13-/m0/s1.
What are the key properties of N-[(2S)-1-(3-ethoxypropylamino)-3-methyl-1-oxobutan-2-yl]furan-2-carboxamide?
N-[(2S)-1-(3-ethoxypropylamino)-3-methyl-1-oxobutan-2-yl]furan-2-carboxamide has a molecular weight of 296.37 g/mol, XLogP of 1.58, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-(3-ethoxypropylamino)-3-methyl-1-oxobutan-2-yl]furan-2-carboxamide is sourced from PubChem (CID 24540679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).