N-(3-hydroxy-3-naphthalen-1-ylpropyl)butanamide

C17H21NO2 — CID 90524322

IUPACN-(3-hydroxy-3-naphthalen-1-ylpropyl)butanamide
SMILESCCCC(=O)NCCC(O)c1cccc2ccccc12
InChIInChI=1S/C17H21NO2/c1-2-6-17(20)18-12-11-16(19)15-10-5-8-13-7-3-4-9-14(13)15/h3-5,7-10,16,19H,2,6,11-12H2,1H3,(H,18,20)
InChIKeyONDKUNCIINUSHY-UHFFFAOYSA-N
MW271.36 g/mol
LogP3.18
Rot. Bonds6

About N-(3-hydroxy-3-naphthalen-1-ylpropyl)butanamide

N-(3-hydroxy-3-naphthalen-1-ylpropyl)butanamide (PubChem CID 90524322) has the molecular formula C17H21NO2 and a molecular weight of 271.36 g/mol. Its IUPAC name is N-(3-hydroxy-3-naphthalen-1-ylpropyl)butanamide.

Molecular Properties

Compound NameN-(3-hydroxy-3-naphthalen-1-ylpropyl)butanamide
PubChem CID90524322
Molecular FormulaC17H21NO2
Molecular Weight271.36 g/mol
Exact Mass271.16
IUPAC NameN-(3-hydroxy-3-naphthalen-1-ylpropyl)butanamide
SMILESCCCC(=O)NCCC(O)c1cccc2ccccc12
InChIInChI=1S/C17H21NO2/c1-2-6-17(20)18-12-11-16(19)15-10-5-8-13-7-3-4-9-14(13)15/h3-5,7-10,16,19H,2,6,11-12H2,1H3,(H,18,20)
InChIKeyONDKUNCIINUSHY-UHFFFAOYSA-N
XLogP3.18
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 53.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3-hydroxy-3-naphthalen-1-ylpropyl)-2-methoxyacetamide
CID 71787908
N-(3-hydroxy-3-naphthalen-1-ylpropyl)-2-methylpropanamide
CID 90524323
3-(benzenesulfonyl)-N-(3-hydroxy-3-naphthalen-1-ylpropyl)propanamide
CID 90524456
N-(3-hydroxy-3-naphthalen-1-ylpropyl)-2,2-diphenylacetamide
CID 90524453
N-(3-hydroxy-3-phenylpropyl)butanamide;propane
CID 143470750
N-(3-hydroxy-3-naphthalen-1-ylpropyl)cyclopropanecarboxamide
CID 71787907
1-(3-hydroxy-3-naphthalen-1-ylpropyl)-3-(2-phenylethyl)urea
CID 90524671
N-(3-hydroxy-3-naphthalen-1-ylpropyl)-N'-(4-methylphenyl)oxamide
CID 90524589
N-(3-hydroxy-3-naphthalen-1-ylpropyl)thiophene-2-carboxamide
CID 90524337
N-(3-hydroxy-3-naphthalen-1-ylpropyl)-N'-(4-propan-2-ylphenyl)oxamide
CID 90524620
N-(3-hydroxy-3-naphthalen-1-ylpropyl)-1-methyl-2-oxopyridine-3-carboxamide
CID 71787922
N-(3-hydroxy-3-naphthalen-1-ylpropyl)adamantane-1-carboxamide
CID 90524399

Frequently Asked Questions

What is the IUPAC name of N-(3-hydroxy-3-naphthalen-1-ylpropyl)butanamide?
The IUPAC name of N-(3-hydroxy-3-naphthalen-1-ylpropyl)butanamide (CID 90524322) is N-(3-hydroxy-3-naphthalen-1-ylpropyl)butanamide.
What is the SMILES notation for N-(3-hydroxy-3-naphthalen-1-ylpropyl)butanamide?
The canonical SMILES for N-(3-hydroxy-3-naphthalen-1-ylpropyl)butanamide is CCCC(=O)NCCC(O)c1cccc2ccccc12.
What is the InChIKey of N-(3-hydroxy-3-naphthalen-1-ylpropyl)butanamide?
The InChIKey is ONDKUNCIINUSHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO2/c1-2-6-17(20)18-12-11-16(19)15-10-5-8-13-7-3-4-9-14(13)15/h3-5,7-10,16,19H,2,6,11-12H2,1H3,(H,18,20).
What are the key properties of N-(3-hydroxy-3-naphthalen-1-ylpropyl)butanamide?
N-(3-hydroxy-3-naphthalen-1-ylpropyl)butanamide has a molecular weight of 271.36 g/mol, XLogP of 3.18, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-hydroxy-3-naphthalen-1-ylpropyl)butanamide is sourced from PubChem (CID 90524322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).