4-(2-methoxyethoxy)-N-[(2S)-2-methyl-3,4-dihydro-1H-naphthalen-2-yl]butanamide

C18H27NO3 — CID 95777250

IUPAC4-(2-methoxyethoxy)-N-[(2S)-2-methyl-3,4-dihydro-1H-naphthalen-2-yl]butanamide
SMILESCOCCOCCCC(=O)N[C@@]1(C)CCc2ccccc2C1
InChIInChI=1S/C18H27NO3/c1-18(10-9-15-6-3-4-7-16(15)14-18)19-17(20)8-5-11-22-13-12-21-2/h3-4,6-7H,5,8-14H2,1-2H3,(H,19,20)/t18-/m0/s1
InChIKeyGELDUCATFURNAN-SFHVURJKSA-N
MW305.42 g/mol
LogP2.49
Rot. Bonds8

About 4-(2-methoxyethoxy)-N-[(2S)-2-methyl-3,4-dihydro-1H-naphthalen-2-yl]butanamide

4-(2-methoxyethoxy)-N-[(2S)-2-methyl-3,4-dihydro-1H-naphthalen-2-yl]butanamide (PubChem CID 95777250) has the molecular formula C18H27NO3 and a molecular weight of 305.42 g/mol. Its IUPAC name is 4-(2-methoxyethoxy)-N-[(2S)-2-methyl-3,4-dihydro-1H-naphthalen-2-yl]butanamide.

Molecular Properties

Compound Name4-(2-methoxyethoxy)-N-[(2S)-2-methyl-3,4-dihydro-1H-naphthalen-2-yl]butanamide
PubChem CID95777250
Molecular FormulaC18H27NO3
Molecular Weight305.42 g/mol
Exact Mass305.20
IUPAC Name4-(2-methoxyethoxy)-N-[(2S)-2-methyl-3,4-dihydro-1H-naphthalen-2-yl]butanamide
SMILESCOCCOCCCC(=O)N[C@@]1(C)CCc2ccccc2C1
InChIInChI=1S/C18H27NO3/c1-18(10-9-15-6-3-4-7-16(15)14-18)19-17(20)8-5-11-22-13-12-21-2/h3-4,6-7H,5,8-14H2,1-2H3,(H,19,20)/t18-/m0/s1
InChIKeyGELDUCATFURNAN-SFHVURJKSA-N
XLogP2.49
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.42
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(2-methoxyethoxy)-N-[(2S)-2-methyl-3,4-dihydro-1H-naphthalen-2-yl]butanamide?
The IUPAC name of 4-(2-methoxyethoxy)-N-[(2S)-2-methyl-3,4-dihydro-1H-naphthalen-2-yl]butanamide (CID 95777250) is 4-(2-methoxyethoxy)-N-[(2S)-2-methyl-3,4-dihydro-1H-naphthalen-2-yl]butanamide.
What is the SMILES notation for 4-(2-methoxyethoxy)-N-[(2S)-2-methyl-3,4-dihydro-1H-naphthalen-2-yl]butanamide?
The canonical SMILES for 4-(2-methoxyethoxy)-N-[(2S)-2-methyl-3,4-dihydro-1H-naphthalen-2-yl]butanamide is COCCOCCCC(=O)N[C@@]1(C)CCc2ccccc2C1.
What is the InChIKey of 4-(2-methoxyethoxy)-N-[(2S)-2-methyl-3,4-dihydro-1H-naphthalen-2-yl]butanamide?
The InChIKey is GELDUCATFURNAN-SFHVURJKSA-N. The full InChI is InChI=1S/C18H27NO3/c1-18(10-9-15-6-3-4-7-16(15)14-18)19-17(20)8-5-11-22-13-12-21-2/h3-4,6-7H,5,8-14H2,1-2H3,(H,19,20)/t18-/m0/s1.
What are the key properties of 4-(2-methoxyethoxy)-N-[(2S)-2-methyl-3,4-dihydro-1H-naphthalen-2-yl]butanamide?
4-(2-methoxyethoxy)-N-[(2S)-2-methyl-3,4-dihydro-1H-naphthalen-2-yl]butanamide has a molecular weight of 305.42 g/mol, XLogP of 2.49, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methoxyethoxy)-N-[(2S)-2-methyl-3,4-dihydro-1H-naphthalen-2-yl]butanamide is sourced from PubChem (CID 95777250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).