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

C26H24N2O3 — CID 9131839

IUPACN-(9,10-dioxoanthracen-1-yl)-2-[[(1R)-2-methyl-1-phenylpropyl]amino]acetamide
SMILESCC(C)[C@@H](NCC(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O)c1ccccc1
InChIInChI=1S/C26H24N2O3/c1-16(2)24(17-9-4-3-5-10-17)27-15-22(29)28-21-14-8-13-20-23(21)26(31)19-12-7-6-11-18(19)25(20)30/h3-14,16,24,27H,15H2,1-2H3,(H,28,29)/t24-/m1/s1
InChIKeyOUVFBLDRHIVCQM-XMMPIXPASA-N
MW412.49 g/mol
LogP4.39
Rot. Bonds6

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

N-(9,10-dioxoanthracen-1-yl)-2-[[(1R)-2-methyl-1-phenylpropyl]amino]acetamide (PubChem CID 9131839) has the molecular formula C26H24N2O3 and a molecular weight of 412.49 g/mol. Its IUPAC name is N-(9,10-dioxoanthracen-1-yl)-2-[[(1R)-2-methyl-1-phenylpropyl]amino]acetamide.

Molecular Properties

Compound NameN-(9,10-dioxoanthracen-1-yl)-2-[[(1R)-2-methyl-1-phenylpropyl]amino]acetamide
PubChem CID9131839
Molecular FormulaC26H24N2O3
Molecular Weight412.49 g/mol
Exact Mass412.18
IUPAC NameN-(9,10-dioxoanthracen-1-yl)-2-[[(1R)-2-methyl-1-phenylpropyl]amino]acetamide
SMILESCC(C)[C@@H](NCC(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O)c1ccccc1
InChIInChI=1S/C26H24N2O3/c1-16(2)24(17-9-4-3-5-10-17)27-15-22(29)28-21-14-8-13-20-23(21)26(31)19-12-7-6-11-18(19)25(20)30/h3-14,16,24,27H,15H2,1-2H3,(H,28,29)/t24-/m1/s1
InChIKeyOUVFBLDRHIVCQM-XMMPIXPASA-N
XLogP4.39
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.49
LogP ≤ 54.39
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

2-[[(1S)-2-methyl-1-phenylpropyl]amino]-N-naphthalen-1-ylacetamide
CID 9131594
N-(9,10-dioxoanthracen-1-yl)-2-[[(1R)-1-(furan-2-yl)ethyl]amino]acetamide
CID 8918639
N-(2,3-dichlorophenyl)-2-[[(1S)-2-methyl-1-phenylpropyl]amino]acetamide
CID 9131743
N-(3-acetamidophenyl)-2-[(2-methyl-1-phenylpropyl)amino]acetamide
CID 86909136
N-(4-acetamidophenyl)-2-[[(1S)-2-methyl-1-phenylpropyl]amino]acetamide
CID 9131833
N-(2-chloro-4-methylphenyl)-2-[[(1R)-2-methyl-1-phenylpropyl]amino]acetamide
CID 9131471
2-bromo-N-(9,10-dioxoanthracen-1-yl)acetamide
CID 24884684
N-[2,6-di(propan-2-yl)phenyl]-2-[[(1S)-2-methyl-1-phenylpropyl]amino]acetamide
CID 9131955
N-(2,6-diethylphenyl)-2-[[(1S)-2-methyl-1-phenylpropyl]amino]acetamide
CID 9131674
methyl (2R)-2-[[2-[[8-[[2-[[(2S)-1-methoxy-4-methyl-1-oxopentan-2-yl]amino]acetyl]amino]-9,10-dioxoanthracen-1-yl]amino]-2-oxoethyl]amino]-4-methylpentanoate
CID 46244695
2-[[(1R)-2-methyl-1-phenylpropyl]amino]-N-[(1R)-1-phenylethyl]acetamide
CID 9131711
N-methyl-4-[[2-[[(1S)-2-methyl-1-phenylpropyl]amino]acetyl]amino]benzamide
CID 9132978

Frequently Asked Questions

What is the IUPAC name of N-(9,10-dioxoanthracen-1-yl)-2-[[(1R)-2-methyl-1-phenylpropyl]amino]acetamide?
The IUPAC name of N-(9,10-dioxoanthracen-1-yl)-2-[[(1R)-2-methyl-1-phenylpropyl]amino]acetamide (CID 9131839) is N-(9,10-dioxoanthracen-1-yl)-2-[[(1R)-2-methyl-1-phenylpropyl]amino]acetamide.
What is the SMILES notation for N-(9,10-dioxoanthracen-1-yl)-2-[[(1R)-2-methyl-1-phenylpropyl]amino]acetamide?
The canonical SMILES for N-(9,10-dioxoanthracen-1-yl)-2-[[(1R)-2-methyl-1-phenylpropyl]amino]acetamide is CC(C)[C@@H](NCC(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O)c1ccccc1.
What is the InChIKey of N-(9,10-dioxoanthracen-1-yl)-2-[[(1R)-2-methyl-1-phenylpropyl]amino]acetamide?
The InChIKey is OUVFBLDRHIVCQM-XMMPIXPASA-N. The full InChI is InChI=1S/C26H24N2O3/c1-16(2)24(17-9-4-3-5-10-17)27-15-22(29)28-21-14-8-13-20-23(21)26(31)19-12-7-6-11-18(19)25(20)30/h3-14,16,24,27H,15H2,1-2H3,(H,28,29)/t24-/m1/s1.
What are the key properties of N-(9,10-dioxoanthracen-1-yl)-2-[[(1R)-2-methyl-1-phenylpropyl]amino]acetamide?
N-(9,10-dioxoanthracen-1-yl)-2-[[(1R)-2-methyl-1-phenylpropyl]amino]acetamide has a molecular weight of 412.49 g/mol, XLogP of 4.39, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(9,10-dioxoanthracen-1-yl)-2-[[(1R)-2-methyl-1-phenylpropyl]amino]acetamide is sourced from PubChem (CID 9131839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).