[(2S)-1-[(9,10-dioxoanthracen-2-yl)amino]-1-oxopropan-2-yl]-[(1R)-1-(furan-2-yl)ethyl]azanium

C23H21N2O4+ — CID 8920165

IUPAC[(2S)-1-[(9,10-dioxoanthracen-2-yl)amino]-1-oxopropan-2-yl]-[(1R)-1-(furan-2-yl)ethyl]azanium
SMILESC[C@H]([NH2+][C@H](C)c1ccco1)C(=O)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O
InChIInChI=1S/C23H20N2O4/c1-13(20-8-5-11-29-20)24-14(2)23(28)25-15-9-10-18-19(12-15)22(27)17-7-4-3-6-16(17)21(18)26/h3-14,24H,1-2H3,(H,25,28)/p+1/t13-,14+/m1/s1
InChIKeyUVQKGVRMDNUBSX-KGLIPLIRSA-O
MW389.43 g/mol
LogP2.71
Rot. Bonds5

About [(2S)-1-[(9,10-dioxoanthracen-2-yl)amino]-1-oxopropan-2-yl]-[(1R)-1-(furan-2-yl)ethyl]azanium

[(2S)-1-[(9,10-dioxoanthracen-2-yl)amino]-1-oxopropan-2-yl]-[(1R)-1-(furan-2-yl)ethyl]azanium (PubChem CID 8920165) has the molecular formula C23H21N2O4+ and a molecular weight of 389.43 g/mol. Its IUPAC name is [(2S)-1-[(9,10-dioxoanthracen-2-yl)amino]-1-oxopropan-2-yl]-[(1R)-1-(furan-2-yl)ethyl]azanium.

Molecular Properties

Compound Name[(2S)-1-[(9,10-dioxoanthracen-2-yl)amino]-1-oxopropan-2-yl]-[(1R)-1-(furan-2-yl)ethyl]azanium
PubChem CID8920165
Molecular FormulaC23H21N2O4+
Molecular Weight389.43 g/mol
Exact Mass389.15
IUPAC Name[(2S)-1-[(9,10-dioxoanthracen-2-yl)amino]-1-oxopropan-2-yl]-[(1R)-1-(furan-2-yl)ethyl]azanium
SMILESC[C@H]([NH2+][C@H](C)c1ccco1)C(=O)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O
InChIInChI=1S/C23H20N2O4/c1-13(20-8-5-11-29-20)24-14(2)23(28)25-15-9-10-18-19(12-15)22(27)17-7-4-3-6-16(17)21(18)26/h3-14,24H,1-2H3,(H,25,28)/p+1/t13-,14+/m1/s1
InChIKeyUVQKGVRMDNUBSX-KGLIPLIRSA-O
XLogP2.71
TPSA92.99 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.43
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quinone_A(370)', 'substructure': 'N/A'}

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Related Compounds

[(2S)-1-[(9,10-dioxoanthracen-2-yl)amino]-1-oxopropan-2-yl]-[(1S)-1-(furan-2-yl)ethyl]azanium
CID 8920161
(2S)-N-(9,10-dioxoanthracen-2-yl)-2-[[(1R)-1-(furan-2-yl)ethyl]amino]propanamide
CID 8920166
N-(9,10-dioxoanthracen-2-yl)acetamide;ethane
CID 143974024
[(2R)-1-(4-acetamidoanilino)-1-oxopropan-2-yl]-[(R)-furan-2-yl(phenyl)methyl]azanium
CID 8696221
[(S)-furan-2-yl(phenyl)methyl]-[(2S)-1-oxo-1-(4-propan-2-ylanilino)propan-2-yl]azanium
CID 8755387
[(S)-furan-2-yl(phenyl)methyl]-[(2R)-1-oxo-1-(4-propan-2-ylanilino)propan-2-yl]azanium
CID 8755385
[(2S)-1-(1,3-benzodioxol-5-ylamino)-1-oxopropan-2-yl]-[(S)-furan-2-yl(phenyl)methyl]azanium
CID 8755309
[(2R)-1-(3-chloroanilino)-1-oxopropan-2-yl]-[(R)-furan-2-yl(phenyl)methyl]azanium
CID 8696261
(2S)-2-(3-chloro-4-fluoroanilino)-N-(9,10-dioxoanthracen-2-yl)propanamide
CID 26057005
N-(9,10-dioxoanthracen-2-yl)propanamide
CID 2871272
[(2R)-1-[(9,10-dioxoanthracen-2-yl)amino]-1-oxopropan-2-yl] 3-methylbut-2-enoate
CID 8759898
1-(9,10-dioxoanthracen-2-yl)-3-phenylurea
CID 14250673

Frequently Asked Questions

What is the IUPAC name of [(2S)-1-[(9,10-dioxoanthracen-2-yl)amino]-1-oxopropan-2-yl]-[(1R)-1-(furan-2-yl)ethyl]azanium?
The IUPAC name of [(2S)-1-[(9,10-dioxoanthracen-2-yl)amino]-1-oxopropan-2-yl]-[(1R)-1-(furan-2-yl)ethyl]azanium (CID 8920165) is [(2S)-1-[(9,10-dioxoanthracen-2-yl)amino]-1-oxopropan-2-yl]-[(1R)-1-(furan-2-yl)ethyl]azanium.
What is the SMILES notation for [(2S)-1-[(9,10-dioxoanthracen-2-yl)amino]-1-oxopropan-2-yl]-[(1R)-1-(furan-2-yl)ethyl]azanium?
The canonical SMILES for [(2S)-1-[(9,10-dioxoanthracen-2-yl)amino]-1-oxopropan-2-yl]-[(1R)-1-(furan-2-yl)ethyl]azanium is C[C@H]([NH2+][C@H](C)c1ccco1)C(=O)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O.
What is the InChIKey of [(2S)-1-[(9,10-dioxoanthracen-2-yl)amino]-1-oxopropan-2-yl]-[(1R)-1-(furan-2-yl)ethyl]azanium?
The InChIKey is UVQKGVRMDNUBSX-KGLIPLIRSA-O. The full InChI is InChI=1S/C23H20N2O4/c1-13(20-8-5-11-29-20)24-14(2)23(28)25-15-9-10-18-19(12-15)22(27)17-7-4-3-6-16(17)21(18)26/h3-14,24H,1-2H3,(H,25,28)/p+1/t13-,14+/m1/s1.
What are the key properties of [(2S)-1-[(9,10-dioxoanthracen-2-yl)amino]-1-oxopropan-2-yl]-[(1R)-1-(furan-2-yl)ethyl]azanium?
[(2S)-1-[(9,10-dioxoanthracen-2-yl)amino]-1-oxopropan-2-yl]-[(1R)-1-(furan-2-yl)ethyl]azanium has a molecular weight of 389.43 g/mol, XLogP of 2.71, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-1-[(9,10-dioxoanthracen-2-yl)amino]-1-oxopropan-2-yl]-[(1R)-1-(furan-2-yl)ethyl]azanium is sourced from PubChem (CID 8920165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).