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

C26H35NO3 — CID 133161622

IUPACN-[3-(2-propoxyphenyl)propyl]-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)butanamide
SMILESCCCOc1ccccc1CCCNC(=O)C(CC)Oc1ccc2c(c1)CCCC2
InChIInChI=1S/C26H35NO3/c1-3-18-29-25-14-8-7-11-21(25)13-9-17-27-26(28)24(4-2)30-23-16-15-20-10-5-6-12-22(20)19-23/h7-8,11,14-16,19,24H,3-6,9-10,12-13,17-18H2,1-2H3,(H,27,28)
InChIKeyQLQZGANGKMNDKX-UHFFFAOYSA-N
MW409.57 g/mol
LogP5.26
Rot. Bonds11

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

N-[3-(2-propoxyphenyl)propyl]-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)butanamide (PubChem CID 133161622) has the molecular formula C26H35NO3 and a molecular weight of 409.57 g/mol. Its IUPAC name is N-[3-(2-propoxyphenyl)propyl]-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)butanamide.

Molecular Properties

Compound NameN-[3-(2-propoxyphenyl)propyl]-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)butanamide
PubChem CID133161622
Molecular FormulaC26H35NO3
Molecular Weight409.57 g/mol
Exact Mass409.26
IUPAC NameN-[3-(2-propoxyphenyl)propyl]-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)butanamide
SMILESCCCOc1ccccc1CCCNC(=O)C(CC)Oc1ccc2c(c1)CCCC2
InChIInChI=1S/C26H35NO3/c1-3-18-29-25-14-8-7-11-21(25)13-9-17-27-26(28)24(4-2)30-23-16-15-20-10-5-6-12-22(20)19-23/h7-8,11,14-16,19,24H,3-6,9-10,12-13,17-18H2,1-2H3,(H,27,28)
InChIKeyQLQZGANGKMNDKX-UHFFFAOYSA-N
XLogP5.26
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500409.57
LogP ≤ 55.26
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

(2R)-N-[2-(2-methylphenoxy)ethyl]-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)butanamide
CID 100549342
N-pentyl-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)butanamide
CID 133186847
2-(2-methylphenoxy)-N-[3-(2-propoxyphenyl)propyl]butanamide
CID 132655453
N-(2-phenoxyethyl)-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)butanamide
CID 133164796
N-(3-methoxypropyl)-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)butanamide
CID 133185085
N-(2-phenylethyl)-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)butanamide
CID 133161448
(2R)-N-[(2-methylphenyl)methyl]-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)butanamide
CID 100505946
N-[3-(3,4-dimethoxyphenyl)propyl]-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)butanamide
CID 133201702
(2R)-N-benzyl-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)butanamide
CID 100771364
(2S)-N-[3-(3-methoxyphenyl)propyl]-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)butanamide
CID 100654873
(2S)-N-[3-(3-propan-2-yloxyphenyl)propyl]-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)butanamide
CID 100530658
(2R)-2-(3,4-dimethylphenoxy)-N-[3-(2-methoxyphenyl)propyl]butanamide
CID 94015813

Frequently Asked Questions

What is the IUPAC name of N-[3-(2-propoxyphenyl)propyl]-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)butanamide?
The IUPAC name of N-[3-(2-propoxyphenyl)propyl]-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)butanamide (CID 133161622) is N-[3-(2-propoxyphenyl)propyl]-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)butanamide.
What is the SMILES notation for N-[3-(2-propoxyphenyl)propyl]-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)butanamide?
The canonical SMILES for N-[3-(2-propoxyphenyl)propyl]-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)butanamide is CCCOc1ccccc1CCCNC(=O)C(CC)Oc1ccc2c(c1)CCCC2.
What is the InChIKey of N-[3-(2-propoxyphenyl)propyl]-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)butanamide?
The InChIKey is QLQZGANGKMNDKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H35NO3/c1-3-18-29-25-14-8-7-11-21(25)13-9-17-27-26(28)24(4-2)30-23-16-15-20-10-5-6-12-22(20)19-23/h7-8,11,14-16,19,24H,3-6,9-10,12-13,17-18H2,1-2H3,(H,27,28).
What are the key properties of N-[3-(2-propoxyphenyl)propyl]-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)butanamide?
N-[3-(2-propoxyphenyl)propyl]-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)butanamide has a molecular weight of 409.57 g/mol, XLogP of 5.26, 11 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-propoxyphenyl)propyl]-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)butanamide is sourced from PubChem (CID 133161622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).