N-[1-(3,4-dimethylphenyl)propyl]-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)butanamide

C25H33NO2 — CID 133200009

IUPACN-[1-(3,4-dimethylphenyl)propyl]-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)butanamide
SMILESCCC(Oc1ccc2c(c1)CCCC2)C(=O)NC(CC)c1ccc(C)c(C)c1
InChIInChI=1S/C25H33NO2/c1-5-23(21-12-11-17(3)18(4)15-21)26-25(27)24(6-2)28-22-14-13-19-9-7-8-10-20(19)16-22/h11-16,23-24H,5-10H2,1-4H3,(H,26,27)
InChIKeyOLUMWVFLNHSAIH-UHFFFAOYSA-N
MW379.54 g/mol
LogP5.61
Rot. Bonds7

About N-[1-(3,4-dimethylphenyl)propyl]-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)butanamide

N-[1-(3,4-dimethylphenyl)propyl]-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)butanamide (PubChem CID 133200009) has the molecular formula C25H33NO2 and a molecular weight of 379.54 g/mol. Its IUPAC name is N-[1-(3,4-dimethylphenyl)propyl]-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)butanamide.

Molecular Properties

Compound NameN-[1-(3,4-dimethylphenyl)propyl]-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)butanamide
PubChem CID133200009
Molecular FormulaC25H33NO2
Molecular Weight379.54 g/mol
Exact Mass379.25
IUPAC NameN-[1-(3,4-dimethylphenyl)propyl]-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)butanamide
SMILESCCC(Oc1ccc2c(c1)CCCC2)C(=O)NC(CC)c1ccc(C)c(C)c1
InChIInChI=1S/C25H33NO2/c1-5-23(21-12-11-17(3)18(4)15-21)26-25(27)24(6-2)28-22-14-13-19-9-7-8-10-20(19)16-22/h11-16,23-24H,5-10H2,1-4H3,(H,26,27)
InChIKeyOLUMWVFLNHSAIH-UHFFFAOYSA-N
XLogP5.61
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500379.54
LogP ≤ 55.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-N-[(1R)-1-(3,4-dimethylphenyl)propyl]-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)propanamide
CID 100770909
2-(4-chlorophenoxy)-N-[1-(3,4-dimethylphenyl)propyl]butanamide
CID 132654231
(2S)-2-(3,4-dimethylphenoxy)-N-[(1R)-1-(4-methoxy-3-methylphenyl)propyl]butanamide
CID 100759702
N-[(1R)-1-(3,4-dimethylphenyl)propyl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide
CID 100705656
N-[1-(3,4-dimethylphenyl)propyl]-2-[4-[methyl(methylsulfonyl)amino]phenoxy]butanamide
CID 133202176
N-[1-(4-ethylphenyl)ethyl]-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)butanamide
CID 133160109
2-(2-fluorophenoxy)-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)propyl]butanamide
CID 133191590
N-[1-(4-tert-butylphenyl)ethyl]-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)butanamide
CID 133184920
N-(2-phenoxyethyl)-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)butanamide
CID 133164796
2-(3,5-dimethylphenoxy)-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)propyl]propanamide
CID 133191614
N-pentyl-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)butanamide
CID 133186847
(2R)-N-[2-(3-methylphenoxy)ethyl]-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)butanamide
CID 100547724

Frequently Asked Questions

What is the IUPAC name of N-[1-(3,4-dimethylphenyl)propyl]-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)butanamide?
The IUPAC name of N-[1-(3,4-dimethylphenyl)propyl]-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)butanamide (CID 133200009) is N-[1-(3,4-dimethylphenyl)propyl]-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)butanamide.
What is the SMILES notation for N-[1-(3,4-dimethylphenyl)propyl]-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)butanamide?
The canonical SMILES for N-[1-(3,4-dimethylphenyl)propyl]-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)butanamide is CCC(Oc1ccc2c(c1)CCCC2)C(=O)NC(CC)c1ccc(C)c(C)c1.
What is the InChIKey of N-[1-(3,4-dimethylphenyl)propyl]-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)butanamide?
The InChIKey is OLUMWVFLNHSAIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H33NO2/c1-5-23(21-12-11-17(3)18(4)15-21)26-25(27)24(6-2)28-22-14-13-19-9-7-8-10-20(19)16-22/h11-16,23-24H,5-10H2,1-4H3,(H,26,27).
What are the key properties of N-[1-(3,4-dimethylphenyl)propyl]-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)butanamide?
N-[1-(3,4-dimethylphenyl)propyl]-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)butanamide has a molecular weight of 379.54 g/mol, XLogP of 5.61, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3,4-dimethylphenyl)propyl]-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)butanamide is sourced from PubChem (CID 133200009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).