3,4-dihydroxy-4-(6-hydroxynaphthalen-2-yl)butanamide

C14H15NO4 — CID 171899918

IUPAC3,4-dihydroxy-4-(6-hydroxynaphthalen-2-yl)butanamide
SMILESNC(=O)CC(O)C(O)c1ccc2cc(O)ccc2c1
InChIInChI=1S/C14H15NO4/c15-13(18)7-12(17)14(19)10-2-1-9-6-11(16)4-3-8(9)5-10/h1-6,12,14,16-17,19H,7H2,(H2,15,18)
InChIKeyBANJOIKNEMXBBN-UHFFFAOYSA-N
MW261.28 g/mol
LogP0.82
Rot. Bonds4

About 3,4-dihydroxy-4-(6-hydroxynaphthalen-2-yl)butanamide

3,4-dihydroxy-4-(6-hydroxynaphthalen-2-yl)butanamide (PubChem CID 171899918) has the molecular formula C14H15NO4 and a molecular weight of 261.28 g/mol. Its IUPAC name is 3,4-dihydroxy-4-(6-hydroxynaphthalen-2-yl)butanamide.

Molecular Properties

Compound Name3,4-dihydroxy-4-(6-hydroxynaphthalen-2-yl)butanamide
PubChem CID171899918
Molecular FormulaC14H15NO4
Molecular Weight261.28 g/mol
Exact Mass261.10
IUPAC Name3,4-dihydroxy-4-(6-hydroxynaphthalen-2-yl)butanamide
SMILESNC(=O)CC(O)C(O)c1ccc2cc(O)ccc2c1
InChIInChI=1S/C14H15NO4/c15-13(18)7-12(17)14(19)10-2-1-9-6-11(16)4-3-8(9)5-10/h1-6,12,14,16-17,19H,7H2,(H2,15,18)
InChIKeyBANJOIKNEMXBBN-UHFFFAOYSA-N
XLogP0.82
TPSA103.78 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.28
LogP ≤ 50.82
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

3,4-dihydroxy-4-naphthalen-2-ylbutanamide
CID 171899360
1-(6-hydroxynaphthalen-2-yl)-3-sulfanylpropane-1,2-diol
CID 170820620
4-(3-aminophenyl)-3,4-dihydroxybutanamide
CID 171898668
3,4-dihydroxy-4-(4-hydroxy-2-methylphenyl)butanamide
CID 171898796
4-(4-amino-3-methylphenyl)-3,4-dihydroxybutanamide
CID 171898897
3,4-dihydroxy-4-(7-hydroxynaphthalen-2-yl)butanenitrile
CID 171901708
4-(4-bromophenyl)-3,4-dihydroxybutanamide
CID 171900225
3,4-dihydroxy-4-phenylbutanamide
CID 171898569
4-[4-(bromomethyl)phenyl]-3,4-dihydroxybutanamide
CID 171900239
4-(4-amino-1,2-dihydroxy-4-oxobutyl)benzoic acid
CID 171899034
4-[4-(aminomethyl)-3-fluorophenyl]-3,4-dihydroxybutanamide
CID 171899204
4-[4-(chloromethyl)phenyl]-3,4-dihydroxybutanamide
CID 171898697

Frequently Asked Questions

What is the IUPAC name of 3,4-dihydroxy-4-(6-hydroxynaphthalen-2-yl)butanamide?
The IUPAC name of 3,4-dihydroxy-4-(6-hydroxynaphthalen-2-yl)butanamide (CID 171899918) is 3,4-dihydroxy-4-(6-hydroxynaphthalen-2-yl)butanamide.
What is the SMILES notation for 3,4-dihydroxy-4-(6-hydroxynaphthalen-2-yl)butanamide?
The canonical SMILES for 3,4-dihydroxy-4-(6-hydroxynaphthalen-2-yl)butanamide is NC(=O)CC(O)C(O)c1ccc2cc(O)ccc2c1.
What is the InChIKey of 3,4-dihydroxy-4-(6-hydroxynaphthalen-2-yl)butanamide?
The InChIKey is BANJOIKNEMXBBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO4/c15-13(18)7-12(17)14(19)10-2-1-9-6-11(16)4-3-8(9)5-10/h1-6,12,14,16-17,19H,7H2,(H2,15,18).
What are the key properties of 3,4-dihydroxy-4-(6-hydroxynaphthalen-2-yl)butanamide?
3,4-dihydroxy-4-(6-hydroxynaphthalen-2-yl)butanamide has a molecular weight of 261.28 g/mol, XLogP of 0.82, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dihydroxy-4-(6-hydroxynaphthalen-2-yl)butanamide is sourced from PubChem (CID 171899918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).