4-anthracen-9-yl-3,4-dihydroxybutanamide

C18H17NO3 — CID 171900199

IUPAC4-anthracen-9-yl-3,4-dihydroxybutanamide
SMILESNC(=O)CC(O)C(O)c1c2ccccc2cc2ccccc12
InChIInChI=1S/C18H17NO3/c19-16(21)10-15(20)18(22)17-13-7-3-1-5-11(13)9-12-6-2-4-8-14(12)17/h1-9,15,18,20,22H,10H2,(H2,19,21)
InChIKeyZSSXREFRXPKQQP-UHFFFAOYSA-N
MW295.34 g/mol
LogP2.26
Rot. Bonds4

About 4-anthracen-9-yl-3,4-dihydroxybutanamide

4-anthracen-9-yl-3,4-dihydroxybutanamide (PubChem CID 171900199) has the molecular formula C18H17NO3 and a molecular weight of 295.34 g/mol. Its IUPAC name is 4-anthracen-9-yl-3,4-dihydroxybutanamide.

Molecular Properties

Compound Name4-anthracen-9-yl-3,4-dihydroxybutanamide
PubChem CID171900199
Molecular FormulaC18H17NO3
Molecular Weight295.34 g/mol
Exact Mass295.12
IUPAC Name4-anthracen-9-yl-3,4-dihydroxybutanamide
SMILESNC(=O)CC(O)C(O)c1c2ccccc2cc2ccccc12
InChIInChI=1S/C18H17NO3/c19-16(21)10-15(20)18(22)17-13-7-3-1-5-11(13)9-12-6-2-4-8-14(12)17/h1-9,15,18,20,22H,10H2,(H2,19,21)
InChIKeyZSSXREFRXPKQQP-UHFFFAOYSA-N
XLogP2.26
TPSA83.55 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.34
LogP ≤ 52.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

Analyze 4-anthracen-9-yl-3,4-dihydroxybutanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3,4-dihydroxy-4-naphthalen-1-ylbutanamide
CID 171899361
3,4-dihydroxy-4-naphthalen-2-ylbutanamide
CID 171899360
1-anthracen-9-yl-4-bromobutane-1,2-diol
CID 171893034
1-anthracen-9-yl-3-(methylamino)propane-1,2-diol
CID 171858963
3,4-dihydroxy-4-phenylbutanamide
CID 171898569
4-(9H-carbazol-2-yl)-3,4-dihydroxybutanamide
CID 171900169
3-amino-3-(2-hydroxynaphthalen-1-yl)propanamide
CID 170875681
4-(1-benzothiophen-3-yl)-3,4-dihydroxybutanamide
CID 171899320
4-(3-aminophenyl)-3,4-dihydroxybutanamide
CID 171898668
ethyl (3R)-3-amino-3-anthracen-9-ylpropanoate;hydrochloride
CID 171197606
(2S)-2-amino-2-anthracen-9-ylethanol
CID 11623207
(1R,2S)-1-amino-1-anthracen-9-yl-5-methylhexan-2-ol
CID 171260722

Frequently Asked Questions

What is the IUPAC name of 4-anthracen-9-yl-3,4-dihydroxybutanamide?
The IUPAC name of 4-anthracen-9-yl-3,4-dihydroxybutanamide (CID 171900199) is 4-anthracen-9-yl-3,4-dihydroxybutanamide.
What is the SMILES notation for 4-anthracen-9-yl-3,4-dihydroxybutanamide?
The canonical SMILES for 4-anthracen-9-yl-3,4-dihydroxybutanamide is NC(=O)CC(O)C(O)c1c2ccccc2cc2ccccc12.
What is the InChIKey of 4-anthracen-9-yl-3,4-dihydroxybutanamide?
The InChIKey is ZSSXREFRXPKQQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17NO3/c19-16(21)10-15(20)18(22)17-13-7-3-1-5-11(13)9-12-6-2-4-8-14(12)17/h1-9,15,18,20,22H,10H2,(H2,19,21).
What are the key properties of 4-anthracen-9-yl-3,4-dihydroxybutanamide?
4-anthracen-9-yl-3,4-dihydroxybutanamide has a molecular weight of 295.34 g/mol, XLogP of 2.26, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-anthracen-9-yl-3,4-dihydroxybutanamide is sourced from PubChem (CID 171900199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).