N-(3-hydroxy-3-naphthalen-1-ylpropyl)-2-methylpropanamide

C17H21NO2 — CID 90524323

IUPACN-(3-hydroxy-3-naphthalen-1-ylpropyl)-2-methylpropanamide
SMILESCC(C)C(=O)NCCC(O)c1cccc2ccccc12
InChIInChI=1S/C17H21NO2/c1-12(2)17(20)18-11-10-16(19)15-9-5-7-13-6-3-4-8-14(13)15/h3-9,12,16,19H,10-11H2,1-2H3,(H,18,20)
InChIKeyYCHYUQNXNJOTQM-UHFFFAOYSA-N
MW271.36 g/mol
LogP3.04
Rot. Bonds5

About N-(3-hydroxy-3-naphthalen-1-ylpropyl)-2-methylpropanamide

N-(3-hydroxy-3-naphthalen-1-ylpropyl)-2-methylpropanamide (PubChem CID 90524323) 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)-2-methylpropanamide.

Molecular Properties

Compound NameN-(3-hydroxy-3-naphthalen-1-ylpropyl)-2-methylpropanamide
PubChem CID90524323
Molecular FormulaC17H21NO2
Molecular Weight271.36 g/mol
Exact Mass271.16
IUPAC NameN-(3-hydroxy-3-naphthalen-1-ylpropyl)-2-methylpropanamide
SMILESCC(C)C(=O)NCCC(O)c1cccc2ccccc12
InChIInChI=1S/C17H21NO2/c1-12(2)17(20)18-11-10-16(19)15-9-5-7-13-6-3-4-8-14(13)15/h3-9,12,16,19H,10-11H2,1-2H3,(H,18,20)
InChIKeyYCHYUQNXNJOTQM-UHFFFAOYSA-N
XLogP3.04
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 53.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3-hydroxy-3-naphthalen-1-ylpropyl)-2,2-diphenylacetamide
CID 90524453
N-(3-hydroxy-3-naphthalen-1-ylpropyl)butanamide
CID 90524322
N-(3-hydroxy-3-naphthalen-1-ylpropyl)-2-methoxyacetamide
CID 71787908
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-propan-2-ylphenyl)oxamide
CID 90524620
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)-1-methyl-2-oxopyridine-3-carboxamide
CID 71787922
N-(3-hydroxy-3-naphthalen-1-ylpropyl)adamantane-1-carboxamide
CID 90524399
N-(3-hydroxy-3-naphthalen-1-ylpropyl)-3,5-bis(trifluoromethyl)benzamide
CID 121110209
3-(benzenesulfonyl)-N-(3-hydroxy-3-naphthalen-1-ylpropyl)propanamide
CID 90524456

Frequently Asked Questions

What is the IUPAC name of N-(3-hydroxy-3-naphthalen-1-ylpropyl)-2-methylpropanamide?
The IUPAC name of N-(3-hydroxy-3-naphthalen-1-ylpropyl)-2-methylpropanamide (CID 90524323) is N-(3-hydroxy-3-naphthalen-1-ylpropyl)-2-methylpropanamide.
What is the SMILES notation for N-(3-hydroxy-3-naphthalen-1-ylpropyl)-2-methylpropanamide?
The canonical SMILES for N-(3-hydroxy-3-naphthalen-1-ylpropyl)-2-methylpropanamide is CC(C)C(=O)NCCC(O)c1cccc2ccccc12.
What is the InChIKey of N-(3-hydroxy-3-naphthalen-1-ylpropyl)-2-methylpropanamide?
The InChIKey is YCHYUQNXNJOTQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO2/c1-12(2)17(20)18-11-10-16(19)15-9-5-7-13-6-3-4-8-14(13)15/h3-9,12,16,19H,10-11H2,1-2H3,(H,18,20).
What are the key properties of N-(3-hydroxy-3-naphthalen-1-ylpropyl)-2-methylpropanamide?
N-(3-hydroxy-3-naphthalen-1-ylpropyl)-2-methylpropanamide has a molecular weight of 271.36 g/mol, XLogP of 3.04, 5 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)-2-methylpropanamide is sourced from PubChem (CID 90524323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).