N-(3-oxobutan-2-yl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide

C15H19NO2 — CID 64996915

IUPACN-(3-oxobutan-2-yl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide
SMILESCC(=O)C(C)NC(=O)C1CCCc2ccccc21
InChIInChI=1S/C15H19NO2/c1-10(11(2)17)16-15(18)14-9-5-7-12-6-3-4-8-13(12)14/h3-4,6,8,10,14H,5,7,9H2,1-2H3,(H,16,18)
InChIKeyPQOLYYLBANITIN-UHFFFAOYSA-N
MW245.32 g/mol
LogP2.20
Rot. Bonds3

About N-(3-oxobutan-2-yl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide

N-(3-oxobutan-2-yl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide (PubChem CID 64996915) has the molecular formula C15H19NO2 and a molecular weight of 245.32 g/mol. Its IUPAC name is N-(3-oxobutan-2-yl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide.

Molecular Properties

Compound NameN-(3-oxobutan-2-yl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide
PubChem CID64996915
Molecular FormulaC15H19NO2
Molecular Weight245.32 g/mol
Exact Mass245.14
IUPAC NameN-(3-oxobutan-2-yl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide
SMILESCC(=O)C(C)NC(=O)C1CCCc2ccccc21
InChIInChI=1S/C15H19NO2/c1-10(11(2)17)16-15(18)14-9-5-7-12-6-3-4-8-13(12)14/h3-4,6,8,10,14H,5,7,9H2,1-2H3,(H,16,18)
InChIKeyPQOLYYLBANITIN-UHFFFAOYSA-N
XLogP2.20
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.32
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-(3-oxobutan-2-yl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(1-amino-1-hydroxyiminopropan-2-yl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide
CID 76948358
(2S)-2-(2,3-dihydro-1H-indene-1-carbonylamino)propanoic acid
CID 119238189
N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide
CID 79245874
N-(4-hydroxy-3-methylbutan-2-yl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide
CID 115734909
N-(1-bromobutan-2-yl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide
CID 114307725
N-[1-(4-methylphenyl)ethyl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide
CID 55576544
methyl 3-methyl-2-(1,2,3,4-tetrahydronaphthalene-1-carbonylamino)butanoate
CID 43423445
N-benzhydryl-1,2,3,4-tetrahydronaphthalene-1-carboxamide
CID 57256640
N-[1-(1H-1,2,4-triazol-5-yl)ethyl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide
CID 103716538
(2R)-2-phenyl-2-(1,2,3,4-tetrahydronaphthalene-1-carbonylamino)acetic acid
CID 119367745
N-(1-aminobutan-2-yl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide
CID 63755728
2-amino-1-(1,2,3,4-tetrahydronaphthalen-1-yl)propan-1-one
CID 71326492

Frequently Asked Questions

What is the IUPAC name of N-(3-oxobutan-2-yl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide?
The IUPAC name of N-(3-oxobutan-2-yl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide (CID 64996915) is N-(3-oxobutan-2-yl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide.
What is the SMILES notation for N-(3-oxobutan-2-yl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide?
The canonical SMILES for N-(3-oxobutan-2-yl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide is CC(=O)C(C)NC(=O)C1CCCc2ccccc21.
What is the InChIKey of N-(3-oxobutan-2-yl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide?
The InChIKey is PQOLYYLBANITIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO2/c1-10(11(2)17)16-15(18)14-9-5-7-12-6-3-4-8-13(12)14/h3-4,6,8,10,14H,5,7,9H2,1-2H3,(H,16,18).
What are the key properties of N-(3-oxobutan-2-yl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide?
N-(3-oxobutan-2-yl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide has a molecular weight of 245.32 g/mol, XLogP of 2.20, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-oxobutan-2-yl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide is sourced from PubChem (CID 64996915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).