4-(4-hydroxybutyl)naphthalene-1-carboxamide

C15H17NO2 — CID 90789019

IUPAC4-(4-hydroxybutyl)naphthalene-1-carboxamide
SMILESNC(=O)c1ccc(CCCCO)c2ccccc12
InChIInChI=1S/C15H17NO2/c16-15(18)14-9-8-11(5-3-4-10-17)12-6-1-2-7-13(12)14/h1-2,6-9,17H,3-5,10H2,(H2,16,18)
InChIKeyBUUJNHUKAKDCCI-UHFFFAOYSA-N
MW243.31 g/mol
LogP2.25
Rot. Bonds5

About 4-(4-hydroxybutyl)naphthalene-1-carboxamide

4-(4-hydroxybutyl)naphthalene-1-carboxamide (PubChem CID 90789019) has the molecular formula C15H17NO2 and a molecular weight of 243.31 g/mol. Its IUPAC name is 4-(4-hydroxybutyl)naphthalene-1-carboxamide.

Molecular Properties

Compound Name4-(4-hydroxybutyl)naphthalene-1-carboxamide
PubChem CID90789019
Molecular FormulaC15H17NO2
Molecular Weight243.31 g/mol
Exact Mass243.13
IUPAC Name4-(4-hydroxybutyl)naphthalene-1-carboxamide
SMILESNC(=O)c1ccc(CCCCO)c2ccccc12
InChIInChI=1S/C15H17NO2/c16-15(18)14-9-8-11(5-3-4-10-17)12-6-1-2-7-13(12)14/h1-2,6-9,17H,3-5,10H2,(H2,16,18)
InChIKeyBUUJNHUKAKDCCI-UHFFFAOYSA-N
XLogP2.25
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(4-hexylnaphthalen-1-yl)ethanone
CID 125472643
2-[4-(3-hydroxypropyl)naphthalen-1-yl]acetaldehyde
CID 153490793
2-[4-(2-hydroxyethyl)naphthalen-1-yl]ethanol
CID 12582392
4-(4-ethoxy-4-oxobutyl)naphthalene-1-carboxylic acid
CID 71469361
1-[2-(4-hydroxybutyl)phenyl]ethanone
CID 14995224
4-fluoro-2-(3-hydroxypropyl)benzamide
CID 86681537
4-[(pyridin-2-ylmethylamino)methyl]naphthalene-1-carboxamide
CID 141041513
4-(hydroxymethyl)naphthalene-1-carbonyl chloride
CID 118835402
3-(4-hydroxybutyl)pyridine-2-carboxamide
CID 173142407
ethane;6-[9-(6-hydroxyhexyl)perylen-3-yl]hexan-1-ol
CID 145401307
CID 129133768
CID 129133768
3-naphthalen-1-ylpropan-1-ol
CID 14711518

Frequently Asked Questions

What is the IUPAC name of 4-(4-hydroxybutyl)naphthalene-1-carboxamide?
The IUPAC name of 4-(4-hydroxybutyl)naphthalene-1-carboxamide (CID 90789019) is 4-(4-hydroxybutyl)naphthalene-1-carboxamide.
What is the SMILES notation for 4-(4-hydroxybutyl)naphthalene-1-carboxamide?
The canonical SMILES for 4-(4-hydroxybutyl)naphthalene-1-carboxamide is NC(=O)c1ccc(CCCCO)c2ccccc12.
What is the InChIKey of 4-(4-hydroxybutyl)naphthalene-1-carboxamide?
The InChIKey is BUUJNHUKAKDCCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO2/c16-15(18)14-9-8-11(5-3-4-10-17)12-6-1-2-7-13(12)14/h1-2,6-9,17H,3-5,10H2,(H2,16,18).
What are the key properties of 4-(4-hydroxybutyl)naphthalene-1-carboxamide?
4-(4-hydroxybutyl)naphthalene-1-carboxamide has a molecular weight of 243.31 g/mol, XLogP of 2.25, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-hydroxybutyl)naphthalene-1-carboxamide is sourced from PubChem (CID 90789019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).