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

C23H20N2O4 — CID 8920166

IUPAC(2S)-N-(9,10-dioxoanthracen-2-yl)-2-[[(1R)-1-(furan-2-yl)ethyl]amino]propanamide
SMILESC[C@H](N[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)/t13-,14+/m1/s1
InChIKeyUVQKGVRMDNUBSX-KGLIPLIRSA-N
MW388.42 g/mol
LogP3.73
Rot. Bonds5

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

(2S)-N-(9,10-dioxoanthracen-2-yl)-2-[[(1R)-1-(furan-2-yl)ethyl]amino]propanamide (PubChem CID 8920166) has the molecular formula C23H20N2O4 and a molecular weight of 388.42 g/mol. Its IUPAC name is (2S)-N-(9,10-dioxoanthracen-2-yl)-2-[[(1R)-1-(furan-2-yl)ethyl]amino]propanamide.

Molecular Properties

Compound Name(2S)-N-(9,10-dioxoanthracen-2-yl)-2-[[(1R)-1-(furan-2-yl)ethyl]amino]propanamide
PubChem CID8920166
Molecular FormulaC23H20N2O4
Molecular Weight388.42 g/mol
Exact Mass388.14
IUPAC Name(2S)-N-(9,10-dioxoanthracen-2-yl)-2-[[(1R)-1-(furan-2-yl)ethyl]amino]propanamide
SMILESC[C@H](N[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)/t13-,14+/m1/s1
InChIKeyUVQKGVRMDNUBSX-KGLIPLIRSA-N
XLogP3.73
TPSA88.41 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.42
LogP ≤ 53.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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)-1-[(9,10-dioxoanthracen-2-yl)amino]-1-oxopropan-2-yl]-[(1R)-1-(furan-2-yl)ethyl]azanium
CID 8920165
(2R)-N-(4-acetylphenyl)-2-[[(1S)-1-(furan-2-yl)ethyl]amino]propanamide
CID 8918884
N-(9,10-dioxoanthracen-2-yl)-2-[[(2S,3S)-3-methoxybutan-2-yl]amino]propanamide
CID 146097164
(2S)-2-(3-chloro-4-fluoroanilino)-N-(9,10-dioxoanthracen-2-yl)propanamide
CID 26057005
N-tert-butyl-2-[[(1R)-1-(furan-2-yl)ethyl]amino]propanamide
CID 81401281
N-(9,10-dioxoanthracen-2-yl)acetamide;ethane
CID 143974024
(2R)-N-(3-chloro-4-methylphenyl)-2-[[(1R)-1-(furan-2-yl)ethyl]amino]-2-phenylacetamide
CID 8918904
methyl N-[(2S)-2-[[(1S)-1-(furan-2-yl)ethyl]amino]propanoyl]carbamate
CID 8922155
(2R)-2-[[(1S)-1-(furan-2-yl)ethyl]amino]-N-(methylcarbamoyl)propanamide
CID 8919781
N-(9,10-dioxoanthracen-2-yl)propanamide
CID 2871272
(2S)-N-cyclopentyl-2-[[(1S)-1-(furan-2-yl)ethyl]amino]propanamide
CID 93035997

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(9,10-dioxoanthracen-2-yl)-2-[[(1R)-1-(furan-2-yl)ethyl]amino]propanamide?
The IUPAC name of (2S)-N-(9,10-dioxoanthracen-2-yl)-2-[[(1R)-1-(furan-2-yl)ethyl]amino]propanamide (CID 8920166) is (2S)-N-(9,10-dioxoanthracen-2-yl)-2-[[(1R)-1-(furan-2-yl)ethyl]amino]propanamide.
What is the SMILES notation for (2S)-N-(9,10-dioxoanthracen-2-yl)-2-[[(1R)-1-(furan-2-yl)ethyl]amino]propanamide?
The canonical SMILES for (2S)-N-(9,10-dioxoanthracen-2-yl)-2-[[(1R)-1-(furan-2-yl)ethyl]amino]propanamide is C[C@H](N[C@H](C)c1ccco1)C(=O)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O.
What is the InChIKey of (2S)-N-(9,10-dioxoanthracen-2-yl)-2-[[(1R)-1-(furan-2-yl)ethyl]amino]propanamide?
The InChIKey is UVQKGVRMDNUBSX-KGLIPLIRSA-N. 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)/t13-,14+/m1/s1.
What are the key properties of (2S)-N-(9,10-dioxoanthracen-2-yl)-2-[[(1R)-1-(furan-2-yl)ethyl]amino]propanamide?
(2S)-N-(9,10-dioxoanthracen-2-yl)-2-[[(1R)-1-(furan-2-yl)ethyl]amino]propanamide has a molecular weight of 388.42 g/mol, XLogP of 3.73, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(9,10-dioxoanthracen-2-yl)-2-[[(1R)-1-(furan-2-yl)ethyl]amino]propanamide is sourced from PubChem (CID 8920166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).