3-oxo-N-(1,2,3,4-tetrahydronaphthalen-2-yl)butanamide

C14H17NO2 — CID 62305100

IUPAC3-oxo-N-(1,2,3,4-tetrahydronaphthalen-2-yl)butanamide
SMILESCC(=O)CC(=O)NC1CCc2ccccc2C1
InChIInChI=1S/C14H17NO2/c1-10(16)8-14(17)15-13-7-6-11-4-2-3-5-12(11)9-13/h2-5,13H,6-9H2,1H3,(H,15,17)
InChIKeyUURFEAUYMWRENB-UHFFFAOYSA-N
MW231.30 g/mol
LogP1.64
Rot. Bonds3

About 3-oxo-N-(1,2,3,4-tetrahydronaphthalen-2-yl)butanamide

3-oxo-N-(1,2,3,4-tetrahydronaphthalen-2-yl)butanamide (PubChem CID 62305100) has the molecular formula C14H17NO2 and a molecular weight of 231.30 g/mol. Its IUPAC name is 3-oxo-N-(1,2,3,4-tetrahydronaphthalen-2-yl)butanamide.

Molecular Properties

Compound Name3-oxo-N-(1,2,3,4-tetrahydronaphthalen-2-yl)butanamide
PubChem CID62305100
Molecular FormulaC14H17NO2
Molecular Weight231.30 g/mol
Exact Mass231.13
IUPAC Name3-oxo-N-(1,2,3,4-tetrahydronaphthalen-2-yl)butanamide
SMILESCC(=O)CC(=O)NC1CCc2ccccc2C1
InChIInChI=1S/C14H17NO2/c1-10(16)8-14(17)15-13-7-6-11-4-2-3-5-12(11)9-13/h2-5,13H,6-9H2,1H3,(H,15,17)
InChIKeyUURFEAUYMWRENB-UHFFFAOYSA-N
XLogP1.64
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.30
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

N-[(2R)-1,2,3,4-tetrahydronaphthalen-2-yl]propanamide
CID 68917081
2-chloro-N-(1,2,3,4-tetrahydronaphthalen-2-yl)acetamide
CID 11775776
2-propan-2-yloxy-N-(1,2,3,4-tetrahydronaphthalen-2-yl)acetamide
CID 112686633
2-methyl-3-(methylamino)-N-(1,2,3,4-tetrahydronaphthalen-2-yl)propanamide
CID 79202769
tert-butyl N-[(2S)-1,2,3,4-tetrahydronaphthalen-2-yl]carbamate
CID 129371230
(2R)-2-amino-N-(1,2,3,4-tetrahydronaphthalen-2-yl)propanamide;hydrochloride
CID 119270502
2-pyrrolidin-2-yl-N-(1,2,3,4-tetrahydronaphthalen-2-yl)acetamide
CID 62306443
3-amino-3-phenyl-N-(1,2,3,4-tetrahydronaphthalen-2-yl)propanamide;hydrochloride
CID 119948996
1-cyclohexyl-3-(1,2,3,4-tetrahydronaphthalen-2-yl)urea
CID 115573941
propan-2-yl N-(1,2,3,4-tetrahydronaphthalen-2-yl)carbamate
CID 116655524
4-[3-oxo-3-(1,2,3,4-tetrahydronaphthalen-2-ylamino)propyl]benzoic acid
CID 119179640
2-(4-chloro-3-methylpyrazol-1-yl)-N-(1,2,3,4-tetrahydronaphthalen-2-yl)acetamide
CID 91761197

Frequently Asked Questions

What is the IUPAC name of 3-oxo-N-(1,2,3,4-tetrahydronaphthalen-2-yl)butanamide?
The IUPAC name of 3-oxo-N-(1,2,3,4-tetrahydronaphthalen-2-yl)butanamide (CID 62305100) is 3-oxo-N-(1,2,3,4-tetrahydronaphthalen-2-yl)butanamide.
What is the SMILES notation for 3-oxo-N-(1,2,3,4-tetrahydronaphthalen-2-yl)butanamide?
The canonical SMILES for 3-oxo-N-(1,2,3,4-tetrahydronaphthalen-2-yl)butanamide is CC(=O)CC(=O)NC1CCc2ccccc2C1.
What is the InChIKey of 3-oxo-N-(1,2,3,4-tetrahydronaphthalen-2-yl)butanamide?
The InChIKey is UURFEAUYMWRENB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO2/c1-10(16)8-14(17)15-13-7-6-11-4-2-3-5-12(11)9-13/h2-5,13H,6-9H2,1H3,(H,15,17).
What are the key properties of 3-oxo-N-(1,2,3,4-tetrahydronaphthalen-2-yl)butanamide?
3-oxo-N-(1,2,3,4-tetrahydronaphthalen-2-yl)butanamide has a molecular weight of 231.30 g/mol, XLogP of 1.64, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-oxo-N-(1,2,3,4-tetrahydronaphthalen-2-yl)butanamide is sourced from PubChem (CID 62305100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).