N-[(2R)-4-phenylbutan-2-yl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide

C21H25NO — CID 100704780

IUPACN-[(2R)-4-phenylbutan-2-yl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide
SMILESC[C@H](CCc1ccccc1)NC(=O)c1ccc2c(c1)CCCC2
InChIInChI=1S/C21H25NO/c1-16(11-12-17-7-3-2-4-8-17)22-21(23)20-14-13-18-9-5-6-10-19(18)15-20/h2-4,7-8,13-16H,5-6,9-12H2,1H3,(H,22,23)/t16-/m1/s1
InChIKeyDNOCMIHYBIDGPY-MRXNPFEDSA-N
MW307.44 g/mol
LogP4.32
Rot. Bonds5

About N-[(2R)-4-phenylbutan-2-yl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide

N-[(2R)-4-phenylbutan-2-yl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide (PubChem CID 100704780) has the molecular formula C21H25NO and a molecular weight of 307.44 g/mol. Its IUPAC name is N-[(2R)-4-phenylbutan-2-yl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide.

Molecular Properties

Compound NameN-[(2R)-4-phenylbutan-2-yl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide
PubChem CID100704780
Molecular FormulaC21H25NO
Molecular Weight307.44 g/mol
Exact Mass307.19
IUPAC NameN-[(2R)-4-phenylbutan-2-yl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide
SMILESC[C@H](CCc1ccccc1)NC(=O)c1ccc2c(c1)CCCC2
InChIInChI=1S/C21H25NO/c1-16(11-12-17-7-3-2-4-8-17)22-21(23)20-14-13-18-9-5-6-10-19(18)15-20/h2-4,7-8,13-16H,5-6,9-12H2,1H3,(H,22,23)/t16-/m1/s1
InChIKeyDNOCMIHYBIDGPY-MRXNPFEDSA-N
XLogP4.32
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.44
LogP ≤ 54.32
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-[(2S)-butan-2-yl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide
CID 95358601
3,4-dimethyl-N-[(2S)-4-phenylbutan-2-yl]benzamide
CID 903724
4-(2-oxopyrrolidin-1-yl)-N-[(2S)-4-phenylbutan-2-yl]benzamide
CID 40515622
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
4-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-N-(4-phenylbutan-2-yl)benzamide
CID 17200373
N-(4-phenylbutan-2-yl)-7,8,9,10-tetrahydro-6H-azepino[1,2-a]benzimidazole-3-carboxamide
CID 22579575
4-bromo-3-hydroxy-N-(4-phenylbutan-2-yl)benzamide
CID 103830384
N-(4-phenylbutan-2-yl)-4-sulfanylbenzamide
CID 107026940
N-[(2S)-4-phenylbutan-2-yl]-4-(piperidin-1-ylmethyl)benzamide
CID 41453775
2-(2,3-dihydro-1H-inden-5-yloxy)-N-(4-phenylbutan-2-yl)acetamide
CID 16552545

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-4-phenylbutan-2-yl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide?
The IUPAC name of N-[(2R)-4-phenylbutan-2-yl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide (CID 100704780) is N-[(2R)-4-phenylbutan-2-yl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide.
What is the SMILES notation for N-[(2R)-4-phenylbutan-2-yl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide?
The canonical SMILES for N-[(2R)-4-phenylbutan-2-yl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide is C[C@H](CCc1ccccc1)NC(=O)c1ccc2c(c1)CCCC2.
What is the InChIKey of N-[(2R)-4-phenylbutan-2-yl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide?
The InChIKey is DNOCMIHYBIDGPY-MRXNPFEDSA-N. The full InChI is InChI=1S/C21H25NO/c1-16(11-12-17-7-3-2-4-8-17)22-21(23)20-14-13-18-9-5-6-10-19(18)15-20/h2-4,7-8,13-16H,5-6,9-12H2,1H3,(H,22,23)/t16-/m1/s1.
What are the key properties of N-[(2R)-4-phenylbutan-2-yl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide?
N-[(2R)-4-phenylbutan-2-yl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide has a molecular weight of 307.44 g/mol, XLogP of 4.32, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-4-phenylbutan-2-yl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide is sourced from PubChem (CID 100704780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).