2-(2-hydroxyethylamino)-N-[7-[[2-(2-hydroxyethylamino)acetyl]amino]-9-oxofluoren-2-yl]acetamide

C21H24N4O5 — CID 72696869

IUPAC2-(2-hydroxyethylamino)-N-[7-[[2-(2-hydroxyethylamino)acetyl]amino]-9-oxofluoren-2-yl]acetamide
SMILESO=C(CNCCO)Nc1ccc2c(c1)C(=O)c1cc(NC(=O)CNCCO)ccc1-2
InChIInChI=1S/C21H24N4O5/c26-7-5-22-11-19(28)24-13-1-3-15-16-4-2-14(25-20(29)12-23-6-8-27)10-18(16)21(30)17(15)9-13/h1-4,9-10,22-23,26-27H,5-8,11-12H2,(H,24,28)(H,25,29)
InChIKeyLBLCEFQLZNHZDT-UHFFFAOYSA-N
MW412.45 g/mol
LogP-0.06
Rot. Bonds10

About 2-(2-hydroxyethylamino)-N-[7-[[2-(2-hydroxyethylamino)acetyl]amino]-9-oxofluoren-2-yl]acetamide

2-(2-hydroxyethylamino)-N-[7-[[2-(2-hydroxyethylamino)acetyl]amino]-9-oxofluoren-2-yl]acetamide (PubChem CID 72696869) has the molecular formula C21H24N4O5 and a molecular weight of 412.45 g/mol. Its IUPAC name is 2-(2-hydroxyethylamino)-N-[7-[[2-(2-hydroxyethylamino)acetyl]amino]-9-oxofluoren-2-yl]acetamide.

Molecular Properties

Compound Name2-(2-hydroxyethylamino)-N-[7-[[2-(2-hydroxyethylamino)acetyl]amino]-9-oxofluoren-2-yl]acetamide
PubChem CID72696869
Molecular FormulaC21H24N4O5
Molecular Weight412.45 g/mol
Exact Mass412.17
IUPAC Name2-(2-hydroxyethylamino)-N-[7-[[2-(2-hydroxyethylamino)acetyl]amino]-9-oxofluoren-2-yl]acetamide
SMILESO=C(CNCCO)Nc1ccc2c(c1)C(=O)c1cc(NC(=O)CNCCO)ccc1-2
InChIInChI=1S/C21H24N4O5/c26-7-5-22-11-19(28)24-13-1-3-15-16-4-2-14(25-20(29)12-23-6-8-27)10-18(16)21(30)17(15)9-13/h1-4,9-10,22-23,26-27H,5-8,11-12H2,(H,24,28)(H,25,29)
InChIKeyLBLCEFQLZNHZDT-UHFFFAOYSA-N
XLogP-0.06
TPSA139.79 Ų
H-Bond Donors6
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500412.45
LogP ≤ 5-0.06
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(3,4-dichlorophenyl)-2-(2-hydroxyethylamino)acetamide
CID 82358474
2-(2-methylpropylamino)-N-[7-[[2-(2-methylpropylamino)acetyl]amino]-9,10-dioxoanthracen-2-yl]acetamide
CID 44568765
N-(4-acetamidophenyl)-2-(2-hydroxyethylamino)acetamide
CID 82358506
methyl 4-[[2-(2-hydroxyethylamino)acetyl]amino]benzoate
CID 82358503
2-(2-hydroxyethylamino)-N-[4-(trifluoromethoxy)phenyl]acetamide
CID 71628791
N-(9,10-dioxoanthracen-2-yl)propanamide
CID 2871272
2,3-diamino-N-[2-[[6-[[2-(2,3-diaminopropanoylamino)acetyl]amino]-9,10-dioxoanthracen-2-yl]amino]-2-oxoethyl]propanamide
CID 127030866
N-[5,8-dihydroxy-4-[[2-(2-hydroxyethylamino)acetyl]amino]-9,10-dioxoanthracen-1-yl]-2-(2-hydroxyethylamino)acetamide
CID 10412525
2,4-diamino-N-[2-[[6-[[2-(2,4-diaminobutanoylamino)acetyl]amino]-9,10-dioxoanthracen-2-yl]amino]-2-oxoethyl]butanamide
CID 127031661
2-(4-hydroxybutylamino)-N-(3-methylphenyl)acetamide
CID 103820281
N-[6-(decanoylamino)-9-oxofluoren-2-yl]decanamide
CID 171981229
3-[[2-(3,4-dimethylanilino)-2-oxoethyl]amino]propanoic acid
CID 43466525

Frequently Asked Questions

What is the IUPAC name of 2-(2-hydroxyethylamino)-N-[7-[[2-(2-hydroxyethylamino)acetyl]amino]-9-oxofluoren-2-yl]acetamide?
The IUPAC name of 2-(2-hydroxyethylamino)-N-[7-[[2-(2-hydroxyethylamino)acetyl]amino]-9-oxofluoren-2-yl]acetamide (CID 72696869) is 2-(2-hydroxyethylamino)-N-[7-[[2-(2-hydroxyethylamino)acetyl]amino]-9-oxofluoren-2-yl]acetamide.
What is the SMILES notation for 2-(2-hydroxyethylamino)-N-[7-[[2-(2-hydroxyethylamino)acetyl]amino]-9-oxofluoren-2-yl]acetamide?
The canonical SMILES for 2-(2-hydroxyethylamino)-N-[7-[[2-(2-hydroxyethylamino)acetyl]amino]-9-oxofluoren-2-yl]acetamide is O=C(CNCCO)Nc1ccc2c(c1)C(=O)c1cc(NC(=O)CNCCO)ccc1-2.
What is the InChIKey of 2-(2-hydroxyethylamino)-N-[7-[[2-(2-hydroxyethylamino)acetyl]amino]-9-oxofluoren-2-yl]acetamide?
The InChIKey is LBLCEFQLZNHZDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O5/c26-7-5-22-11-19(28)24-13-1-3-15-16-4-2-14(25-20(29)12-23-6-8-27)10-18(16)21(30)17(15)9-13/h1-4,9-10,22-23,26-27H,5-8,11-12H2,(H,24,28)(H,25,29).
What are the key properties of 2-(2-hydroxyethylamino)-N-[7-[[2-(2-hydroxyethylamino)acetyl]amino]-9-oxofluoren-2-yl]acetamide?
2-(2-hydroxyethylamino)-N-[7-[[2-(2-hydroxyethylamino)acetyl]amino]-9-oxofluoren-2-yl]acetamide has a molecular weight of 412.45 g/mol, XLogP of -0.06, 10 rotatable bonds, 6 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-hydroxyethylamino)-N-[7-[[2-(2-hydroxyethylamino)acetyl]amino]-9-oxofluoren-2-yl]acetamide is sourced from PubChem (CID 72696869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).