2-(10-hydroxydecylamino)naphthalene-1,4-dione

C20H27NO3 — CID 71295511

IUPAC2-(10-hydroxydecylamino)naphthalene-1,4-dione
SMILESO=C1C=C(NCCCCCCCCCCO)C(=O)c2ccccc21
InChIInChI=1S/C20H27NO3/c22-14-10-6-4-2-1-3-5-9-13-21-18-15-19(23)16-11-7-8-12-17(16)20(18)24/h7-8,11-12,15,21-22H,1-6,9-10,13-14H2
InChIKeyXZFNVKNUGKNHLZ-UHFFFAOYSA-N
MW329.44 g/mol
LogP3.65
Rot. Bonds11

About 2-(10-hydroxydecylamino)naphthalene-1,4-dione

2-(10-hydroxydecylamino)naphthalene-1,4-dione (PubChem CID 71295511) has the molecular formula C20H27NO3 and a molecular weight of 329.44 g/mol. Its IUPAC name is 2-(10-hydroxydecylamino)naphthalene-1,4-dione.

Molecular Properties

Compound Name2-(10-hydroxydecylamino)naphthalene-1,4-dione
PubChem CID71295511
Molecular FormulaC20H27NO3
Molecular Weight329.44 g/mol
Exact Mass329.20
IUPAC Name2-(10-hydroxydecylamino)naphthalene-1,4-dione
SMILESO=C1C=C(NCCCCCCCCCCO)C(=O)c2ccccc21
InChIInChI=1S/C20H27NO3/c22-14-10-6-4-2-1-3-5-9-13-21-18-15-19(23)16-11-7-8-12-17(16)20(18)24/h7-8,11-12,15,21-22H,1-6,9-10,13-14H2
InChIKeyXZFNVKNUGKNHLZ-UHFFFAOYSA-N
XLogP3.65
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.44
LogP ≤ 53.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

10-[(1,4-dioxonaphthalen-2-yl)amino]decyl methanesulfonate
CID 89429105
2-[3-(benzenesulfonyl)propylamino]naphthalene-1,4-dione
CID 124928576
2-(15-hydroxypentadecyl)naphthalene-1,4-dione
CID 14907543
2-(2-hydroxyethylamino)anthracene-1,4-dione
CID 174631926
2-(oct-3-ynylamino)naphthalene-1,4-dione
CID 146335419
6-(2-hydroxyethylamino)isoquinoline-5,8-dione
CID 45093493
5-[2-(5-hydroxypentylamino)anilino]pentan-1-ol
CID 165350008
10-anilinodecan-1-ol
CID 10955954
(3S)-3-[(1,4-dioxonaphthalen-2-yl)amino]butanoic acid
CID 98207655
ethanol;2-methylnaphthalene-1,4-dione
CID 175255751
7-[4-[(1,4-dioxonaphthalen-2-yl)amino]-2-methylbutyl]-2-(3-phenylprop-2-ynylamino)naphthalene-1,4-dione
CID 146335577
2-(5-hydroxypentylamino)-N-propan-2-ylbenzenesulfonamide
CID 107318077

Frequently Asked Questions

What is the IUPAC name of 2-(10-hydroxydecylamino)naphthalene-1,4-dione?
The IUPAC name of 2-(10-hydroxydecylamino)naphthalene-1,4-dione (CID 71295511) is 2-(10-hydroxydecylamino)naphthalene-1,4-dione.
What is the SMILES notation for 2-(10-hydroxydecylamino)naphthalene-1,4-dione?
The canonical SMILES for 2-(10-hydroxydecylamino)naphthalene-1,4-dione is O=C1C=C(NCCCCCCCCCCO)C(=O)c2ccccc21.
What is the InChIKey of 2-(10-hydroxydecylamino)naphthalene-1,4-dione?
The InChIKey is XZFNVKNUGKNHLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27NO3/c22-14-10-6-4-2-1-3-5-9-13-21-18-15-19(23)16-11-7-8-12-17(16)20(18)24/h7-8,11-12,15,21-22H,1-6,9-10,13-14H2.
What are the key properties of 2-(10-hydroxydecylamino)naphthalene-1,4-dione?
2-(10-hydroxydecylamino)naphthalene-1,4-dione has a molecular weight of 329.44 g/mol, XLogP of 3.65, 11 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(10-hydroxydecylamino)naphthalene-1,4-dione is sourced from PubChem (CID 71295511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).