3,4-dihydroxy-4-naphthalen-2-ylbutanamide

C14H15NO3 — CID 171899360

IUPAC3,4-dihydroxy-4-naphthalen-2-ylbutanamide
SMILESNC(=O)CC(O)C(O)c1ccc2ccccc2c1
InChIInChI=1S/C14H15NO3/c15-13(17)8-12(16)14(18)11-6-5-9-3-1-2-4-10(9)7-11/h1-7,12,14,16,18H,8H2,(H2,15,17)
InChIKeyOFNLRRLPMDMCNM-UHFFFAOYSA-N
MW245.28 g/mol
LogP1.11
Rot. Bonds4

About 3,4-dihydroxy-4-naphthalen-2-ylbutanamide

3,4-dihydroxy-4-naphthalen-2-ylbutanamide (PubChem CID 171899360) has the molecular formula C14H15NO3 and a molecular weight of 245.28 g/mol. Its IUPAC name is 3,4-dihydroxy-4-naphthalen-2-ylbutanamide.

Molecular Properties

Compound Name3,4-dihydroxy-4-naphthalen-2-ylbutanamide
PubChem CID171899360
Molecular FormulaC14H15NO3
Molecular Weight245.28 g/mol
Exact Mass245.11
IUPAC Name3,4-dihydroxy-4-naphthalen-2-ylbutanamide
SMILESNC(=O)CC(O)C(O)c1ccc2ccccc2c1
InChIInChI=1S/C14H15NO3/c15-13(17)8-12(16)14(18)11-6-5-9-3-1-2-4-10(9)7-11/h1-7,12,14,16,18H,8H2,(H2,15,17)
InChIKeyOFNLRRLPMDMCNM-UHFFFAOYSA-N
XLogP1.11
TPSA83.55 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.28
LogP ≤ 51.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3,4-dihydroxy-4-(6-hydroxynaphthalen-2-yl)butanamide
CID 171899918
3,4-dihydroxy-4-phenylbutanamide
CID 171898569
4-(3-aminophenyl)-3,4-dihydroxybutanamide
CID 171898668
3,4-dihydroxy-4-naphthalen-2-ylbutanenitrile
CID 171901152
4-anthracen-9-yl-3,4-dihydroxybutanamide
CID 171900199
(2R)-2-hydroxy-2-naphthalen-2-ylacetamide
CID 11356121
4-(9H-carbazol-2-yl)-3,4-dihydroxybutanamide
CID 171900169
4-bromo-1-naphthalen-2-ylbutane-1,2-diol
CID 171892195
4-(4-amino-3-methylphenyl)-3,4-dihydroxybutanamide
CID 171898897
3,4-dihydroxy-4-naphthalen-1-ylbutanamide
CID 171899361
4-(3-formylphenyl)-3,4-dihydroxybutanamide
CID 171898794
4-[4-(bromomethyl)phenyl]-3,4-dihydroxybutanamide
CID 171900239

Frequently Asked Questions

What is the IUPAC name of 3,4-dihydroxy-4-naphthalen-2-ylbutanamide?
The IUPAC name of 3,4-dihydroxy-4-naphthalen-2-ylbutanamide (CID 171899360) is 3,4-dihydroxy-4-naphthalen-2-ylbutanamide.
What is the SMILES notation for 3,4-dihydroxy-4-naphthalen-2-ylbutanamide?
The canonical SMILES for 3,4-dihydroxy-4-naphthalen-2-ylbutanamide is NC(=O)CC(O)C(O)c1ccc2ccccc2c1.
What is the InChIKey of 3,4-dihydroxy-4-naphthalen-2-ylbutanamide?
The InChIKey is OFNLRRLPMDMCNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO3/c15-13(17)8-12(16)14(18)11-6-5-9-3-1-2-4-10(9)7-11/h1-7,12,14,16,18H,8H2,(H2,15,17).
What are the key properties of 3,4-dihydroxy-4-naphthalen-2-ylbutanamide?
3,4-dihydroxy-4-naphthalen-2-ylbutanamide has a molecular weight of 245.28 g/mol, XLogP of 1.11, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dihydroxy-4-naphthalen-2-ylbutanamide is sourced from PubChem (CID 171899360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).