N-[4-[formyl(propan-2-yl)amino]-9,10-dioxoanthracen-1-yl]-N-propan-2-ylformamide

C22H22N2O4 — CID 88688399

IUPACN-[4-[formyl(propan-2-yl)amino]-9,10-dioxoanthracen-1-yl]-N-propan-2-ylformamide
SMILESCC(C)N(C=O)c1ccc(N(C=O)C(C)C)c2c1C(=O)c1ccccc1C2=O
InChIInChI=1S/C22H22N2O4/c1-13(2)23(11-25)17-9-10-18(24(12-26)14(3)4)20-19(17)21(27)15-7-5-6-8-16(15)22(20)28/h5-14H,1-4H3
InChIKeyGLQNPQUKBBCDPZ-UHFFFAOYSA-N
MW378.43 g/mol
LogP3.20
Rot. Bonds6

About N-[4-[formyl(propan-2-yl)amino]-9,10-dioxoanthracen-1-yl]-N-propan-2-ylformamide

N-[4-[formyl(propan-2-yl)amino]-9,10-dioxoanthracen-1-yl]-N-propan-2-ylformamide (PubChem CID 88688399) has the molecular formula C22H22N2O4 and a molecular weight of 378.43 g/mol. Its IUPAC name is N-[4-[formyl(propan-2-yl)amino]-9,10-dioxoanthracen-1-yl]-N-propan-2-ylformamide.

Molecular Properties

Compound NameN-[4-[formyl(propan-2-yl)amino]-9,10-dioxoanthracen-1-yl]-N-propan-2-ylformamide
PubChem CID88688399
Molecular FormulaC22H22N2O4
Molecular Weight378.43 g/mol
Exact Mass378.16
IUPAC NameN-[4-[formyl(propan-2-yl)amino]-9,10-dioxoanthracen-1-yl]-N-propan-2-ylformamide
SMILESCC(C)N(C=O)c1ccc(N(C=O)C(C)C)c2c1C(=O)c1ccccc1C2=O
InChIInChI=1S/C22H22N2O4/c1-13(2)23(11-25)17-9-10-18(24(12-26)14(3)4)20-19(17)21(27)15-7-5-6-8-16(15)22(20)28/h5-14H,1-4H3
InChIKeyGLQNPQUKBBCDPZ-UHFFFAOYSA-N
XLogP3.20
TPSA74.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.43
LogP ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

C.I. Disperse Blue 3
CID 17191
1,4-Bis((1-methylethyl)amino)-9,10-anthracenedione
CID 61719
C.I. Solvent Blue 35
CID 3766139
Ametantrone
CID 2134
Solvent Red 111
CID 6706
1,4-Bis((2-hydroxyethyl)amino)anthraquinone
CID 20549
Disperse Violet 4
CID 14650
9,10-Anthracenedione, 1,4-bis(methylamino)-
CID 17189
Solvent Blue 63
CID 80834
Corinth flour
CID 66479
3-methyl-6-(p-toluidino)-3H-dibenz[f,ij]isoquinoline-2,7-dione
CID 66476
Solvent Blue 14
CID 75847

Frequently Asked Questions

What is the IUPAC name of N-[4-[formyl(propan-2-yl)amino]-9,10-dioxoanthracen-1-yl]-N-propan-2-ylformamide?
The IUPAC name of N-[4-[formyl(propan-2-yl)amino]-9,10-dioxoanthracen-1-yl]-N-propan-2-ylformamide (CID 88688399) is N-[4-[formyl(propan-2-yl)amino]-9,10-dioxoanthracen-1-yl]-N-propan-2-ylformamide.
What is the SMILES notation for N-[4-[formyl(propan-2-yl)amino]-9,10-dioxoanthracen-1-yl]-N-propan-2-ylformamide?
The canonical SMILES for N-[4-[formyl(propan-2-yl)amino]-9,10-dioxoanthracen-1-yl]-N-propan-2-ylformamide is CC(C)N(C=O)c1ccc(N(C=O)C(C)C)c2c1C(=O)c1ccccc1C2=O.
What is the InChIKey of N-[4-[formyl(propan-2-yl)amino]-9,10-dioxoanthracen-1-yl]-N-propan-2-ylformamide?
The InChIKey is GLQNPQUKBBCDPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N2O4/c1-13(2)23(11-25)17-9-10-18(24(12-26)14(3)4)20-19(17)21(27)15-7-5-6-8-16(15)22(20)28/h5-14H,1-4H3.
What are the key properties of N-[4-[formyl(propan-2-yl)amino]-9,10-dioxoanthracen-1-yl]-N-propan-2-ylformamide?
N-[4-[formyl(propan-2-yl)amino]-9,10-dioxoanthracen-1-yl]-N-propan-2-ylformamide has a molecular weight of 378.43 g/mol, XLogP of 3.20, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[formyl(propan-2-yl)amino]-9,10-dioxoanthracen-1-yl]-N-propan-2-ylformamide is sourced from PubChem (CID 88688399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).