N-[(2S)-butan-2-yl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide

C15H21NO — CID 95358601

IUPACN-[(2S)-butan-2-yl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide
SMILESCC[C@H](C)NC(=O)c1ccc2c(c1)CCCC2
InChIInChI=1S/C15H21NO/c1-3-11(2)16-15(17)14-9-8-12-6-4-5-7-13(12)10-14/h8-11H,3-7H2,1-2H3,(H,16,17)/t11-/m0/s1
InChIKeyXCHSBYFFWHIAKH-NSHDSACASA-N
MW231.34 g/mol
LogP3.09
Rot. Bonds3

About N-[(2S)-butan-2-yl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide

N-[(2S)-butan-2-yl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide (PubChem CID 95358601) has the molecular formula C15H21NO and a molecular weight of 231.34 g/mol. Its IUPAC name is N-[(2S)-butan-2-yl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide.

Molecular Properties

Compound NameN-[(2S)-butan-2-yl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide
PubChem CID95358601
Molecular FormulaC15H21NO
Molecular Weight231.34 g/mol
Exact Mass231.16
IUPAC NameN-[(2S)-butan-2-yl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide
SMILESCC[C@H](C)NC(=O)c1ccc2c(c1)CCCC2
InChIInChI=1S/C15H21NO/c1-3-11(2)16-15(17)14-9-8-12-6-4-5-7-13(12)10-14/h8-11H,3-7H2,1-2H3,(H,16,17)/t11-/m0/s1
InChIKeyXCHSBYFFWHIAKH-NSHDSACASA-N
XLogP3.09
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.34
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-(5,6,7,8-tetrahydronaphthalene-2-carbonylamino)butanoic acid
CID 43240739
N-[(2R)-4-phenylbutan-2-yl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide
CID 100704780
N-(5-bromopentan-2-yl)-2,3-dihydro-1H-indene-5-carboxamide
CID 114316446
N-pent-4-yn-2-yl-2,3-dihydro-1H-indene-5-carboxamide
CID 115661886
N-[(1S)-1-(4-ethylphenyl)ethyl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide
CID 100706676
2-(2,3-dihydro-1H-indene-5-carbonylamino)-3-methylpentanoic acid
CID 43176189
N-(1-bromobutan-2-yl)-2,3-dihydro-1H-indene-5-carboxamide
CID 114307626
N-[2-oxo-2-(propan-2-ylamino)ethyl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide
CID 9300971
(2R)-4-methyl-2-(5,6,7,8-tetrahydronaphthalene-2-carbonylamino)pentanoic acid
CID 78975834
4-[[[amino-(2,3-dihydro-1H-inden-5-ylamino)methylidene]amino]methyl]-N-butan-2-ylbenzamide
CID 111072119
N-[(1R)-1-(3,4-dimethylphenyl)propyl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide
CID 100705656
N-[(1R)-1-(3,4-diethoxyphenyl)ethyl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide
CID 100705940

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-butan-2-yl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide?
The IUPAC name of N-[(2S)-butan-2-yl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide (CID 95358601) is N-[(2S)-butan-2-yl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide.
What is the SMILES notation for N-[(2S)-butan-2-yl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide?
The canonical SMILES for N-[(2S)-butan-2-yl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide is CC[C@H](C)NC(=O)c1ccc2c(c1)CCCC2.
What is the InChIKey of N-[(2S)-butan-2-yl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide?
The InChIKey is XCHSBYFFWHIAKH-NSHDSACASA-N. The full InChI is InChI=1S/C15H21NO/c1-3-11(2)16-15(17)14-9-8-12-6-4-5-7-13(12)10-14/h8-11H,3-7H2,1-2H3,(H,16,17)/t11-/m0/s1.
What are the key properties of N-[(2S)-butan-2-yl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide?
N-[(2S)-butan-2-yl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide has a molecular weight of 231.34 g/mol, XLogP of 3.09, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-butan-2-yl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide is sourced from PubChem (CID 95358601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).