(2S)-N-[3-(3-methoxyphenyl)propyl]-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)butanamide

C24H31NO3 — CID 100654873

IUPAC(2S)-N-[3-(3-methoxyphenyl)propyl]-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)butanamide
SMILESCC[C@H](Oc1ccc2c(c1)CCCC2)C(=O)NCCCc1cccc(OC)c1
InChIInChI=1S/C24H31NO3/c1-3-23(28-22-14-13-19-10-4-5-11-20(19)17-22)24(26)25-15-7-9-18-8-6-12-21(16-18)27-2/h6,8,12-14,16-17,23H,3-5,7,9-11,15H2,1-2H3,(H,25,26)/t23-/m0/s1
InChIKeyAQTLUQOWEGFSDV-QHCPKHFHSA-N
MW381.52 g/mol
LogP4.48
Rot. Bonds9

About (2S)-N-[3-(3-methoxyphenyl)propyl]-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)butanamide

(2S)-N-[3-(3-methoxyphenyl)propyl]-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)butanamide (PubChem CID 100654873) has the molecular formula C24H31NO3 and a molecular weight of 381.52 g/mol. Its IUPAC name is (2S)-N-[3-(3-methoxyphenyl)propyl]-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)butanamide.

Molecular Properties

Compound Name(2S)-N-[3-(3-methoxyphenyl)propyl]-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)butanamide
PubChem CID100654873
Molecular FormulaC24H31NO3
Molecular Weight381.52 g/mol
Exact Mass381.23
IUPAC Name(2S)-N-[3-(3-methoxyphenyl)propyl]-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)butanamide
SMILESCC[C@H](Oc1ccc2c(c1)CCCC2)C(=O)NCCCc1cccc(OC)c1
InChIInChI=1S/C24H31NO3/c1-3-23(28-22-14-13-19-10-4-5-11-20(19)17-22)24(26)25-15-7-9-18-8-6-12-21(16-18)27-2/h6,8,12-14,16-17,23H,3-5,7,9-11,15H2,1-2H3,(H,25,26)/t23-/m0/s1
InChIKeyAQTLUQOWEGFSDV-QHCPKHFHSA-N
XLogP4.48
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.52
LogP ≤ 54.48
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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Related Compounds

(2S)-N-[3-(3-propan-2-yloxyphenyl)propyl]-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)butanamide
CID 100530658
2-(4-methoxyphenoxy)-N-[3-(3-methoxyphenyl)propyl]butanamide
CID 132653897
N-[3-(3,4-dimethoxyphenyl)propyl]-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)butanamide
CID 133201702
2-(4-tert-butylphenoxy)-N-[3-(3-methoxyphenyl)propyl]butanamide
CID 132657819
2-(4-methoxyphenoxy)-N-[3-(3-propan-2-yloxyphenyl)propyl]butanamide
CID 132658170
(2R)-2-(3-chlorophenoxy)-N-[3-(3-methoxyphenyl)propyl]butanamide
CID 94019406
N-(2-phenylethyl)-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)butanamide
CID 133161448
N-[(4-methoxyphenyl)methyl]-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)butanamide
CID 133185836
N-(3-methoxypropyl)-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)butanamide
CID 133185085
N-pentyl-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)butanamide
CID 133186847
N-[3-(3-methoxyphenyl)propyl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide
CID 100705004
(2R)-N-benzyl-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)butanamide
CID 100771364

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[3-(3-methoxyphenyl)propyl]-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)butanamide?
The IUPAC name of (2S)-N-[3-(3-methoxyphenyl)propyl]-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)butanamide (CID 100654873) is (2S)-N-[3-(3-methoxyphenyl)propyl]-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)butanamide.
What is the SMILES notation for (2S)-N-[3-(3-methoxyphenyl)propyl]-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)butanamide?
The canonical SMILES for (2S)-N-[3-(3-methoxyphenyl)propyl]-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)butanamide is CC[C@H](Oc1ccc2c(c1)CCCC2)C(=O)NCCCc1cccc(OC)c1.
What is the InChIKey of (2S)-N-[3-(3-methoxyphenyl)propyl]-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)butanamide?
The InChIKey is AQTLUQOWEGFSDV-QHCPKHFHSA-N. The full InChI is InChI=1S/C24H31NO3/c1-3-23(28-22-14-13-19-10-4-5-11-20(19)17-22)24(26)25-15-7-9-18-8-6-12-21(16-18)27-2/h6,8,12-14,16-17,23H,3-5,7,9-11,15H2,1-2H3,(H,25,26)/t23-/m0/s1.
What are the key properties of (2S)-N-[3-(3-methoxyphenyl)propyl]-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)butanamide?
(2S)-N-[3-(3-methoxyphenyl)propyl]-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)butanamide has a molecular weight of 381.52 g/mol, XLogP of 4.48, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[3-(3-methoxyphenyl)propyl]-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)butanamide is sourced from PubChem (CID 100654873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).