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

C22H18N2O4 — CID 8918639

IUPACN-(9,10-dioxoanthracen-1-yl)-2-[[(1R)-1-(furan-2-yl)ethyl]amino]acetamide
SMILESC[C@@H](NCC(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O)c1ccco1
InChIInChI=1S/C22H18N2O4/c1-13(18-10-5-11-28-18)23-12-19(25)24-17-9-4-8-16-20(17)22(27)15-7-3-2-6-14(15)21(16)26/h2-11,13,23H,12H2,1H3,(H,24,25)/t13-/m1/s1
InChIKeyFKTZFSMTWJEAHD-CYBMUJFWSA-N
MW374.40 g/mol
LogP3.34
Rot. Bonds5

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

N-(9,10-dioxoanthracen-1-yl)-2-[[(1R)-1-(furan-2-yl)ethyl]amino]acetamide (PubChem CID 8918639) has the molecular formula C22H18N2O4 and a molecular weight of 374.40 g/mol. Its IUPAC name is N-(9,10-dioxoanthracen-1-yl)-2-[[(1R)-1-(furan-2-yl)ethyl]amino]acetamide.

Molecular Properties

Compound NameN-(9,10-dioxoanthracen-1-yl)-2-[[(1R)-1-(furan-2-yl)ethyl]amino]acetamide
PubChem CID8918639
Molecular FormulaC22H18N2O4
Molecular Weight374.40 g/mol
Exact Mass374.13
IUPAC NameN-(9,10-dioxoanthracen-1-yl)-2-[[(1R)-1-(furan-2-yl)ethyl]amino]acetamide
SMILESC[C@@H](NCC(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O)c1ccco1
InChIInChI=1S/C22H18N2O4/c1-13(18-10-5-11-28-18)23-12-19(25)24-17-9-4-8-16-20(17)22(27)15-7-3-2-6-14(15)21(16)26/h2-11,13,23H,12H2,1H3,(H,24,25)/t13-/m1/s1
InChIKeyFKTZFSMTWJEAHD-CYBMUJFWSA-N
XLogP3.34
TPSA88.41 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.40
LogP ≤ 53.34
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

2-[[(1S)-1-(furan-2-yl)ethyl]amino]-N-naphthalen-1-ylacetamide
CID 8918107
N-(9,10-dioxoanthracen-1-yl)-2-[[(1R)-2-methyl-1-phenylpropyl]amino]acetamide
CID 9131839
N-(2,3-dichlorophenyl)-2-[[(1R)-1-(furan-2-yl)ethyl]amino]acetamide
CID 8918436
N-(2-bromo-4-methylphenyl)-2-[[(1R)-1-(furan-2-yl)ethyl]amino]acetamide
CID 8918532
2-[[(1S)-1-(furan-2-yl)ethyl]amino]-N-(2,3,4-trifluorophenyl)acetamide
CID 8918343
N-(4-fluorophenyl)-2-[[2-[[(1S)-1-(furan-2-yl)ethyl]amino]acetyl]amino]benzamide
CID 8922799
N-(4-chloro-2-methylphenyl)-2-[[(1R)-1-(furan-2-yl)ethyl]amino]acetamide
CID 8919166
N-(2,5-difluorophenyl)-2-[[(1S)-1-(furan-2-yl)ethyl]amino]acetamide
CID 8919204
N-(4-chlorophenyl)-2-[[2-[[(1R)-1-(furan-2-yl)ethyl]amino]acetyl]amino]benzamide
CID 8922758
N-[4-[(2S)-butan-2-yl]phenyl]-2-[[(1S)-1-(furan-2-yl)ethyl]amino]acetamide
CID 8917865
N-(3,4-dichlorophenyl)-2-[[(1S)-1-(furan-2-yl)ethyl]amino]acetamide
CID 8917918
2-[[(1S)-1-(furan-2-yl)ethyl]amino]-N-(2-methyl-6-propan-2-ylphenyl)acetamide
CID 8918453

Frequently Asked Questions

What is the IUPAC name of N-(9,10-dioxoanthracen-1-yl)-2-[[(1R)-1-(furan-2-yl)ethyl]amino]acetamide?
The IUPAC name of N-(9,10-dioxoanthracen-1-yl)-2-[[(1R)-1-(furan-2-yl)ethyl]amino]acetamide (CID 8918639) is N-(9,10-dioxoanthracen-1-yl)-2-[[(1R)-1-(furan-2-yl)ethyl]amino]acetamide.
What is the SMILES notation for N-(9,10-dioxoanthracen-1-yl)-2-[[(1R)-1-(furan-2-yl)ethyl]amino]acetamide?
The canonical SMILES for N-(9,10-dioxoanthracen-1-yl)-2-[[(1R)-1-(furan-2-yl)ethyl]amino]acetamide is C[C@@H](NCC(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O)c1ccco1.
What is the InChIKey of N-(9,10-dioxoanthracen-1-yl)-2-[[(1R)-1-(furan-2-yl)ethyl]amino]acetamide?
The InChIKey is FKTZFSMTWJEAHD-CYBMUJFWSA-N. The full InChI is InChI=1S/C22H18N2O4/c1-13(18-10-5-11-28-18)23-12-19(25)24-17-9-4-8-16-20(17)22(27)15-7-3-2-6-14(15)21(16)26/h2-11,13,23H,12H2,1H3,(H,24,25)/t13-/m1/s1.
What are the key properties of N-(9,10-dioxoanthracen-1-yl)-2-[[(1R)-1-(furan-2-yl)ethyl]amino]acetamide?
N-(9,10-dioxoanthracen-1-yl)-2-[[(1R)-1-(furan-2-yl)ethyl]amino]acetamide has a molecular weight of 374.40 g/mol, XLogP of 3.34, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(9,10-dioxoanthracen-1-yl)-2-[[(1R)-1-(furan-2-yl)ethyl]amino]acetamide is sourced from PubChem (CID 8918639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).