N-[7-(1-hydroxybutyl)-1,2,3,4-tetrahydronaphthalen-1-yl]-2-methylbutanamide

C19H29NO2 — CID 82176212

IUPACN-[7-(1-hydroxybutyl)-1,2,3,4-tetrahydronaphthalen-1-yl]-2-methylbutanamide
SMILESCCCC(O)c1ccc2c(c1)C(NC(=O)C(C)CC)CCC2
InChIInChI=1S/C19H29NO2/c1-4-7-18(21)15-11-10-14-8-6-9-17(16(14)12-15)20-19(22)13(3)5-2/h10-13,17-18,21H,4-9H2,1-3H3,(H,20,22)
InChIKeyXGIMJZFEHRXAKG-UHFFFAOYSA-N
MW303.45 g/mol
LogP4.06
Rot. Bonds6

About N-[7-(1-hydroxybutyl)-1,2,3,4-tetrahydronaphthalen-1-yl]-2-methylbutanamide

N-[7-(1-hydroxybutyl)-1,2,3,4-tetrahydronaphthalen-1-yl]-2-methylbutanamide (PubChem CID 82176212) has the molecular formula C19H29NO2 and a molecular weight of 303.45 g/mol. Its IUPAC name is N-[7-(1-hydroxybutyl)-1,2,3,4-tetrahydronaphthalen-1-yl]-2-methylbutanamide.

Molecular Properties

Compound NameN-[7-(1-hydroxybutyl)-1,2,3,4-tetrahydronaphthalen-1-yl]-2-methylbutanamide
PubChem CID82176212
Molecular FormulaC19H29NO2
Molecular Weight303.45 g/mol
Exact Mass303.22
IUPAC NameN-[7-(1-hydroxybutyl)-1,2,3,4-tetrahydronaphthalen-1-yl]-2-methylbutanamide
SMILESCCCC(O)c1ccc2c(c1)C(NC(=O)C(C)CC)CCC2
InChIInChI=1S/C19H29NO2/c1-4-7-18(21)15-11-10-14-8-6-9-17(16(14)12-15)20-19(22)13(3)5-2/h10-13,17-18,21H,4-9H2,1-3H3,(H,20,22)
InChIKeyXGIMJZFEHRXAKG-UHFFFAOYSA-N
XLogP4.06
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.45
LogP ≤ 54.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[6-(1-hydroxybutyl)-3,4-dihydro-2H-chromen-4-yl]-2-methylpropanamide
CID 82171156
2-amino-3-methoxy-N-[(1R)-7-propan-2-yl-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide
CID 120993751
N-[7-(1-aminoethyl)-1,2,3,4-tetrahydronaphthalen-1-yl]cyclopropanecarboxamide
CID 82176169
2-methyl-3-(methylamino)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)propanamide
CID 79196084
N-[7-(1-aminoethyl)-1,2,3,4-tetrahydronaphthalen-1-yl]-2-methoxyacetamide
CID 82176214
2-[4-(hydroxymethyl)piperidin-1-yl]-N-[(1S)-7-propan-2-yl-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
CID 138016937
4-[[(1R)-7-propan-2-yl-1,2,3,4-tetrahydronaphthalen-1-yl]carbamoylamino]butanoic acid
CID 122008277
4-[[(1S)-7-propan-2-yl-1,2,3,4-tetrahydronaphthalen-1-yl]carbamoylamino]butanoic acid
CID 122008259
N-[(1R)-7-propan-2-yl-1,2,3,4-tetrahydronaphthalen-1-yl]-2-pyridin-3-ylacetamide
CID 126768985
(2S,4S)-2-methyl-N-[(1R)-7-propan-2-yl-1,2,3,4-tetrahydronaphthalen-1-yl]piperidine-4-carboxamide
CID 120640719
(2S)-2-methyl-N-[(4R)-4,5,6,7-tetrahydro-1H-indol-4-yl]hexanamide
CID 124874045
(2S)-4-methylsulfanyl-2-(propanoylamino)-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]butanamide
CID 94519727

Frequently Asked Questions

What is the IUPAC name of N-[7-(1-hydroxybutyl)-1,2,3,4-tetrahydronaphthalen-1-yl]-2-methylbutanamide?
The IUPAC name of N-[7-(1-hydroxybutyl)-1,2,3,4-tetrahydronaphthalen-1-yl]-2-methylbutanamide (CID 82176212) is N-[7-(1-hydroxybutyl)-1,2,3,4-tetrahydronaphthalen-1-yl]-2-methylbutanamide.
What is the SMILES notation for N-[7-(1-hydroxybutyl)-1,2,3,4-tetrahydronaphthalen-1-yl]-2-methylbutanamide?
The canonical SMILES for N-[7-(1-hydroxybutyl)-1,2,3,4-tetrahydronaphthalen-1-yl]-2-methylbutanamide is CCCC(O)c1ccc2c(c1)C(NC(=O)C(C)CC)CCC2.
What is the InChIKey of N-[7-(1-hydroxybutyl)-1,2,3,4-tetrahydronaphthalen-1-yl]-2-methylbutanamide?
The InChIKey is XGIMJZFEHRXAKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29NO2/c1-4-7-18(21)15-11-10-14-8-6-9-17(16(14)12-15)20-19(22)13(3)5-2/h10-13,17-18,21H,4-9H2,1-3H3,(H,20,22).
What are the key properties of N-[7-(1-hydroxybutyl)-1,2,3,4-tetrahydronaphthalen-1-yl]-2-methylbutanamide?
N-[7-(1-hydroxybutyl)-1,2,3,4-tetrahydronaphthalen-1-yl]-2-methylbutanamide has a molecular weight of 303.45 g/mol, XLogP of 4.06, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[7-(1-hydroxybutyl)-1,2,3,4-tetrahydronaphthalen-1-yl]-2-methylbutanamide is sourced from PubChem (CID 82176212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).