2-(2-methylpropylamino)-N-[7-[[2-(2-methylpropylamino)acetyl]amino]-9,10-dioxoanthracen-2-yl]acetamide

C26H32N4O4 — CID 44568765

IUPAC2-(2-methylpropylamino)-N-[7-[[2-(2-methylpropylamino)acetyl]amino]-9,10-dioxoanthracen-2-yl]acetamide
SMILESCC(C)CNCC(=O)Nc1ccc2c(c1)C(=O)c1cc(NC(=O)CNCC(C)C)ccc1C2=O
InChIInChI=1S/C26H32N4O4/c1-15(2)11-27-13-23(31)29-17-5-7-19-21(9-17)26(34)22-10-18(6-8-20(22)25(19)33)30-24(32)14-28-12-16(3)4/h5-10,15-16,27-28H,11-14H2,1-4H3,(H,29,31)(H,30,32)
InChIKeyBTABHVPIAAKKHL-UHFFFAOYSA-N
MW464.57 g/mol
LogP2.83
Rot. Bonds10

About 2-(2-methylpropylamino)-N-[7-[[2-(2-methylpropylamino)acetyl]amino]-9,10-dioxoanthracen-2-yl]acetamide

2-(2-methylpropylamino)-N-[7-[[2-(2-methylpropylamino)acetyl]amino]-9,10-dioxoanthracen-2-yl]acetamide (PubChem CID 44568765) has the molecular formula C26H32N4O4 and a molecular weight of 464.57 g/mol. Its IUPAC name is 2-(2-methylpropylamino)-N-[7-[[2-(2-methylpropylamino)acetyl]amino]-9,10-dioxoanthracen-2-yl]acetamide.

Molecular Properties

Compound Name2-(2-methylpropylamino)-N-[7-[[2-(2-methylpropylamino)acetyl]amino]-9,10-dioxoanthracen-2-yl]acetamide
PubChem CID44568765
Molecular FormulaC26H32N4O4
Molecular Weight464.57 g/mol
Exact Mass464.24
IUPAC Name2-(2-methylpropylamino)-N-[7-[[2-(2-methylpropylamino)acetyl]amino]-9,10-dioxoanthracen-2-yl]acetamide
SMILESCC(C)CNCC(=O)Nc1ccc2c(c1)C(=O)c1cc(NC(=O)CNCC(C)C)ccc1C2=O
InChIInChI=1S/C26H32N4O4/c1-15(2)11-27-13-23(31)29-17-5-7-19-21(9-17)26(34)22-10-18(6-8-20(22)25(19)33)30-24(32)14-28-12-16(3)4/h5-10,15-16,27-28H,11-14H2,1-4H3,(H,29,31)(H,30,32)
InChIKeyBTABHVPIAAKKHL-UHFFFAOYSA-N
XLogP2.83
TPSA116.40 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.57
LogP ≤ 52.83
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-(2-hydroxyethylamino)-N-[7-[[2-(2-hydroxyethylamino)acetyl]amino]-9-oxofluoren-2-yl]acetamide
CID 72696869
N-(9,10-dioxoanthracen-2-yl)propanamide
CID 2871272
N-(1,3-benzodioxol-5-yl)-2-(2-methylpropylamino)acetamide
CID 2560584
N-(3-chloro-4-methoxyphenyl)-2-(2-methylpropylamino)acetamide
CID 108993256
N-[2-(3-methylanilino)-2-oxoethyl]-2-(2-methylpropylamino)acetamide
CID 3381858
[3-[[9,10-dioxo-6-[3-(trimethylazaniumyl)propanoylamino]anthracen-2-yl]amino]-3-oxopropyl]-trimethylazanium diiodide
CID 10771147
N-(9,10-dioxoanthracen-2-yl)-2-(4-methylphenyl)sulfanylacetamide
CID 7545109
2,3-diamino-N-[2-[[6-[[2-(2,3-diaminopropanoylamino)acetyl]amino]-9,10-dioxoanthracen-2-yl]amino]-2-oxoethyl]propanamide
CID 127030866
N-(9,10-dioxoanthracen-2-yl)acetamide;ethane
CID 143974024
3-(1-methylpyrrolidin-1-ium-1-yl)-N-[7-[3-(1-methylpyrrolidin-1-ium-1-yl)propanoylamino]-9,10-dioxoanthracen-2-yl]propanamide
CID 10628996
2,4-diamino-N-[2-[[6-[[2-(2,4-diaminobutanoylamino)acetyl]amino]-9,10-dioxoanthracen-2-yl]amino]-2-oxoethyl]butanamide
CID 127031661
N-(3-bromophenyl)-2-(2-methylbutylamino)acetamide
CID 62693083

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylpropylamino)-N-[7-[[2-(2-methylpropylamino)acetyl]amino]-9,10-dioxoanthracen-2-yl]acetamide?
The IUPAC name of 2-(2-methylpropylamino)-N-[7-[[2-(2-methylpropylamino)acetyl]amino]-9,10-dioxoanthracen-2-yl]acetamide (CID 44568765) is 2-(2-methylpropylamino)-N-[7-[[2-(2-methylpropylamino)acetyl]amino]-9,10-dioxoanthracen-2-yl]acetamide.
What is the SMILES notation for 2-(2-methylpropylamino)-N-[7-[[2-(2-methylpropylamino)acetyl]amino]-9,10-dioxoanthracen-2-yl]acetamide?
The canonical SMILES for 2-(2-methylpropylamino)-N-[7-[[2-(2-methylpropylamino)acetyl]amino]-9,10-dioxoanthracen-2-yl]acetamide is CC(C)CNCC(=O)Nc1ccc2c(c1)C(=O)c1cc(NC(=O)CNCC(C)C)ccc1C2=O.
What is the InChIKey of 2-(2-methylpropylamino)-N-[7-[[2-(2-methylpropylamino)acetyl]amino]-9,10-dioxoanthracen-2-yl]acetamide?
The InChIKey is BTABHVPIAAKKHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32N4O4/c1-15(2)11-27-13-23(31)29-17-5-7-19-21(9-17)26(34)22-10-18(6-8-20(22)25(19)33)30-24(32)14-28-12-16(3)4/h5-10,15-16,27-28H,11-14H2,1-4H3,(H,29,31)(H,30,32).
What are the key properties of 2-(2-methylpropylamino)-N-[7-[[2-(2-methylpropylamino)acetyl]amino]-9,10-dioxoanthracen-2-yl]acetamide?
2-(2-methylpropylamino)-N-[7-[[2-(2-methylpropylamino)acetyl]amino]-9,10-dioxoanthracen-2-yl]acetamide has a molecular weight of 464.57 g/mol, XLogP of 2.83, 10 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylpropylamino)-N-[7-[[2-(2-methylpropylamino)acetyl]amino]-9,10-dioxoanthracen-2-yl]acetamide is sourced from PubChem (CID 44568765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).