N-(3-hydroxybutyl)-N-methyl-2-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide

C17H25NO2 — CID 111695405

IUPACN-(3-hydroxybutyl)-N-methyl-2-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide
SMILESCC(O)CCN(C)C(=O)CC1CCCc2ccccc21
InChIInChI=1S/C17H25NO2/c1-13(19)10-11-18(2)17(20)12-15-8-5-7-14-6-3-4-9-16(14)15/h3-4,6,9,13,15,19H,5,7-8,10-12H2,1-2H3
InChIKeyNDHOUUJJQHCJAZ-UHFFFAOYSA-N
MW275.39 g/mol
LogP2.73
Rot. Bonds5

About N-(3-hydroxybutyl)-N-methyl-2-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide

N-(3-hydroxybutyl)-N-methyl-2-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide (PubChem CID 111695405) has the molecular formula C17H25NO2 and a molecular weight of 275.39 g/mol. Its IUPAC name is N-(3-hydroxybutyl)-N-methyl-2-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide.

Molecular Properties

Compound NameN-(3-hydroxybutyl)-N-methyl-2-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide
PubChem CID111695405
Molecular FormulaC17H25NO2
Molecular Weight275.39 g/mol
Exact Mass275.19
IUPAC NameN-(3-hydroxybutyl)-N-methyl-2-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide
SMILESCC(O)CCN(C)C(=O)CC1CCCc2ccccc21
InChIInChI=1S/C17H25NO2/c1-13(19)10-11-18(2)17(20)12-15-8-5-7-14-6-3-4-9-16(14)15/h3-4,6,9,13,15,19H,5,7-8,10-12H2,1-2H3
InChIKeyNDHOUUJJQHCJAZ-UHFFFAOYSA-N
XLogP2.73
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.39
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(1-aminopropan-2-yl)-N-methyl-2-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide
CID 119583689
N-(1-aminopropan-2-yl)-N-methyl-2-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide;hydrochloride
CID 119583688
4-[[methyl-[2-(1,2,3,4-tetrahydronaphthalen-1-yl)acetyl]amino]methyl]benzoic acid
CID 119226040
4-hydroxy-N-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)pentanamide
CID 79200379
3-ethoxy-1-(1,2,3,4-tetrahydronaphthalen-1-yl)butan-2-one
CID 64540894
2-(2,3-dihydro-1H-inden-1-yl)-N-methyl-N-(2-phenoxyethyl)acetamide
CID 86955304
7-amino-3-methyl-1-(1,2,3,4-tetrahydronaphthalen-1-yl)octan-2-one
CID 116574150
N-[[(2R)-1-(2-hydroxyacetyl)pyrrolidin-2-yl]methyl]-N-methyl-2-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide
CID 166384219
3-methyl-4-(methylamino)-1-(1,2,3,4-tetrahydronaphthalen-1-yl)butan-2-one
CID 116586776
2-(1,2,3,4-tetrahydronaphthalen-1-ylmethylsulfanyl)propanoic acid
CID 55242082
1-(2-methylpropyl)-1,2,3,4-tetrahydronaphthalene
CID 54453127
1-methylsulfanyl-3-(1,2,3,4-tetrahydronaphthalen-1-yl)propan-2-one
CID 63772473

Frequently Asked Questions

What is the IUPAC name of N-(3-hydroxybutyl)-N-methyl-2-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide?
The IUPAC name of N-(3-hydroxybutyl)-N-methyl-2-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide (CID 111695405) is N-(3-hydroxybutyl)-N-methyl-2-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide.
What is the SMILES notation for N-(3-hydroxybutyl)-N-methyl-2-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide?
The canonical SMILES for N-(3-hydroxybutyl)-N-methyl-2-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide is CC(O)CCN(C)C(=O)CC1CCCc2ccccc21.
What is the InChIKey of N-(3-hydroxybutyl)-N-methyl-2-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide?
The InChIKey is NDHOUUJJQHCJAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO2/c1-13(19)10-11-18(2)17(20)12-15-8-5-7-14-6-3-4-9-16(14)15/h3-4,6,9,13,15,19H,5,7-8,10-12H2,1-2H3.
What are the key properties of N-(3-hydroxybutyl)-N-methyl-2-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide?
N-(3-hydroxybutyl)-N-methyl-2-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide has a molecular weight of 275.39 g/mol, XLogP of 2.73, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-hydroxybutyl)-N-methyl-2-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide is sourced from PubChem (CID 111695405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).