N-(9,10-dioxoanthracen-1-yl)-2-(dipropylamino)acetamide

C22H24N2O3 — CID 34599401

IUPACN-(9,10-dioxoanthracen-1-yl)-2-(dipropylamino)acetamide
SMILESCCCN(CCC)CC(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O
InChIInChI=1S/C22H24N2O3/c1-3-12-24(13-4-2)14-19(25)23-18-11-7-10-17-20(18)22(27)16-9-6-5-8-15(16)21(17)26/h5-11H,3-4,12-14H2,1-2H3,(H,23,25)
InChIKeyYKSRPTFXBNICOF-UHFFFAOYSA-N
MW364.44 g/mol
LogP3.52
Rot. Bonds7

About N-(9,10-dioxoanthracen-1-yl)-2-(dipropylamino)acetamide

N-(9,10-dioxoanthracen-1-yl)-2-(dipropylamino)acetamide (PubChem CID 34599401) has the molecular formula C22H24N2O3 and a molecular weight of 364.44 g/mol. Its IUPAC name is N-(9,10-dioxoanthracen-1-yl)-2-(dipropylamino)acetamide.

Molecular Properties

Compound NameN-(9,10-dioxoanthracen-1-yl)-2-(dipropylamino)acetamide
PubChem CID34599401
Molecular FormulaC22H24N2O3
Molecular Weight364.44 g/mol
Exact Mass364.18
IUPAC NameN-(9,10-dioxoanthracen-1-yl)-2-(dipropylamino)acetamide
SMILESCCCN(CCC)CC(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O
InChIInChI=1S/C22H24N2O3/c1-3-12-24(13-4-2)14-19(25)23-18-11-7-10-17-20(18)22(27)16-9-6-5-8-15(16)21(17)26/h5-11H,3-4,12-14H2,1-2H3,(H,23,25)
InChIKeyYKSRPTFXBNICOF-UHFFFAOYSA-N
XLogP3.52
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.44
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-bromo-N-(9,10-dioxoanthracen-1-yl)acetamide
CID 24884684
N-(9,10-dioxoanthracen-1-yl)decanamide
CID 4282760
2-(dipropylamino)-N-(2-ethylphenyl)acetamide
CID 109006597
N-(9,10-dioxoanthracen-1-yl)-2-[2-(4-fluorophenoxy)ethyl-methylamino]acetamide
CID 24507647
N-[3-[[2-(dipropylamino)acetyl]amino]-2-methylphenyl]propanamide
CID 54818982
N-(9,10-dioxoanthracen-1-yl)-2-[(2-fluorophenyl)methyl-methylamino]acetamide
CID 9035250
2-[(2-chlorophenyl)methyl-methylamino]-N-(9,10-dioxoanthracen-1-yl)acetamide
CID 9057937
2-chloro-N-[8-[(2-chloroacetyl)amino]-9,10-dioxoanthracen-1-yl]acetamide;2-[ethyl(methyl)amino]-N-[8-[[2-[ethyl(methyl)amino]acetyl]amino]-9,10-dioxoanthracen-1-yl]acetamide
CID 159623112
N-(9,10-dioxoanthracen-1-yl)-2-[(4-ethoxyphenyl)methyl-methylamino]acetamide
CID 27204408
methyl N-(9,10-dioxoanthracen-1-yl)carbamate
CID 4161864
6-bromo-N-(9,10-dioxoanthracen-1-yl)hexanamide
CID 44614049
methyl 2-[[2-[[8-[[2-[(2-methoxy-2-oxoethyl)-methylamino]acetyl]amino]-9,10-dioxoanthracen-1-yl]amino]-2-oxoethyl]-methylamino]acetate
CID 46244694

Frequently Asked Questions

What is the IUPAC name of N-(9,10-dioxoanthracen-1-yl)-2-(dipropylamino)acetamide?
The IUPAC name of N-(9,10-dioxoanthracen-1-yl)-2-(dipropylamino)acetamide (CID 34599401) is N-(9,10-dioxoanthracen-1-yl)-2-(dipropylamino)acetamide.
What is the SMILES notation for N-(9,10-dioxoanthracen-1-yl)-2-(dipropylamino)acetamide?
The canonical SMILES for N-(9,10-dioxoanthracen-1-yl)-2-(dipropylamino)acetamide is CCCN(CCC)CC(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O.
What is the InChIKey of N-(9,10-dioxoanthracen-1-yl)-2-(dipropylamino)acetamide?
The InChIKey is YKSRPTFXBNICOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2O3/c1-3-12-24(13-4-2)14-19(25)23-18-11-7-10-17-20(18)22(27)16-9-6-5-8-15(16)21(17)26/h5-11H,3-4,12-14H2,1-2H3,(H,23,25).
What are the key properties of N-(9,10-dioxoanthracen-1-yl)-2-(dipropylamino)acetamide?
N-(9,10-dioxoanthracen-1-yl)-2-(dipropylamino)acetamide has a molecular weight of 364.44 g/mol, XLogP of 3.52, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(9,10-dioxoanthracen-1-yl)-2-(dipropylamino)acetamide is sourced from PubChem (CID 34599401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).