N-[(2S,3R)-3-hydroxy-4-oxo-4-(tetradecylamino)butan-2-yl]furan-2-carboxamide

C23H40N2O4 — CID 90109189

IUPACN-[(2S,3R)-3-hydroxy-4-oxo-4-(tetradecylamino)butan-2-yl]furan-2-carboxamide
SMILESCCCCCCCCCCCCCCNC(=O)[C@H](O)[C@H](C)NC(=O)c1ccco1
InChIInChI=1S/C23H40N2O4/c1-3-4-5-6-7-8-9-10-11-12-13-14-17-24-23(28)21(26)19(2)25-22(27)20-16-15-18-29-20/h15-16,18-19,21,26H,3-14,17H2,1-2H3,(H,24,28)(H,25,27)/t19-,21+/m0/s1
InChIKeyMRAAMVZORXYKNK-PZJWPPBQSA-N
MW408.58 g/mol
LogP4.58
Rot. Bonds17

About N-[(2S,3R)-3-hydroxy-4-oxo-4-(tetradecylamino)butan-2-yl]furan-2-carboxamide

N-[(2S,3R)-3-hydroxy-4-oxo-4-(tetradecylamino)butan-2-yl]furan-2-carboxamide (PubChem CID 90109189) has the molecular formula C23H40N2O4 and a molecular weight of 408.58 g/mol. Its IUPAC name is N-[(2S,3R)-3-hydroxy-4-oxo-4-(tetradecylamino)butan-2-yl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[(2S,3R)-3-hydroxy-4-oxo-4-(tetradecylamino)butan-2-yl]furan-2-carboxamide
PubChem CID90109189
Molecular FormulaC23H40N2O4
Molecular Weight408.58 g/mol
Exact Mass408.30
IUPAC NameN-[(2S,3R)-3-hydroxy-4-oxo-4-(tetradecylamino)butan-2-yl]furan-2-carboxamide
SMILESCCCCCCCCCCCCCCNC(=O)[C@H](O)[C@H](C)NC(=O)c1ccco1
InChIInChI=1S/C23H40N2O4/c1-3-4-5-6-7-8-9-10-11-12-13-14-17-24-23(28)21(26)19(2)25-22(27)20-16-15-18-29-20/h15-16,18-19,21,26H,3-14,17H2,1-2H3,(H,24,28)(H,25,27)/t19-,21+/m0/s1
InChIKeyMRAAMVZORXYKNK-PZJWPPBQSA-N
XLogP4.58
TPSA91.57 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds17
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.58
LogP ≤ 54.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[(2S,3R)-1-(dodecylamino)-3-hydroxy-1-oxobutan-2-yl]furan-2-carboxamide
CID 90112893
N-(dodecylcarbamothioyl)furan-2-carboxamide
CID 10958704
N-[10-(furan-2-carbonylamino)decyl]furan-2-carboxamide
CID 3147438
1-butyl-3-(furan-2-carbonylamino)urea
CID 4642065
N-[1-(3-aminopropylamino)-1-oxopropan-2-yl]furan-2-carboxamide
CID 119407621
N-[1-[[1-(ethylamino)-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]furan-2-carboxamide
CID 47112949
N-[(2S)-1-(3-ethoxypropylamino)-3-methyl-1-oxobutan-2-yl]furan-2-carboxamide
CID 24540679
heptyl 2-(furan-2-carbonylamino)-4-methylpentanoate
CID 91727365
N-[2-[(N'-methyl-N-octan-2-ylcarbamimidoyl)amino]ethyl]furan-2-carboxamide;hydroiodide
CID 111212404
N-[1-(2-aminoethylamino)-1-oxopropan-2-yl]furan-2-carboxamide
CID 119384374
(2R,3R)-N,N'-dihexyl-2,3-dihydroxybutanediamide
CID 11392932
N-[2-[(N-heptan-2-yl-N'-methylcarbamimidoyl)amino]ethyl]furan-2-carboxamide
CID 111195026

Frequently Asked Questions

What is the IUPAC name of N-[(2S,3R)-3-hydroxy-4-oxo-4-(tetradecylamino)butan-2-yl]furan-2-carboxamide?
The IUPAC name of N-[(2S,3R)-3-hydroxy-4-oxo-4-(tetradecylamino)butan-2-yl]furan-2-carboxamide (CID 90109189) is N-[(2S,3R)-3-hydroxy-4-oxo-4-(tetradecylamino)butan-2-yl]furan-2-carboxamide.
What is the SMILES notation for N-[(2S,3R)-3-hydroxy-4-oxo-4-(tetradecylamino)butan-2-yl]furan-2-carboxamide?
The canonical SMILES for N-[(2S,3R)-3-hydroxy-4-oxo-4-(tetradecylamino)butan-2-yl]furan-2-carboxamide is CCCCCCCCCCCCCCNC(=O)[C@H](O)[C@H](C)NC(=O)c1ccco1.
What is the InChIKey of N-[(2S,3R)-3-hydroxy-4-oxo-4-(tetradecylamino)butan-2-yl]furan-2-carboxamide?
The InChIKey is MRAAMVZORXYKNK-PZJWPPBQSA-N. The full InChI is InChI=1S/C23H40N2O4/c1-3-4-5-6-7-8-9-10-11-12-13-14-17-24-23(28)21(26)19(2)25-22(27)20-16-15-18-29-20/h15-16,18-19,21,26H,3-14,17H2,1-2H3,(H,24,28)(H,25,27)/t19-,21+/m0/s1.
What are the key properties of N-[(2S,3R)-3-hydroxy-4-oxo-4-(tetradecylamino)butan-2-yl]furan-2-carboxamide?
N-[(2S,3R)-3-hydroxy-4-oxo-4-(tetradecylamino)butan-2-yl]furan-2-carboxamide has a molecular weight of 408.58 g/mol, XLogP of 4.58, 17 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S,3R)-3-hydroxy-4-oxo-4-(tetradecylamino)butan-2-yl]furan-2-carboxamide is sourced from PubChem (CID 90109189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).