(2S)-N-[3-(4-methoxyphenyl)propyl]-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)propanamide

C23H29NO3 — CID 100566149

IUPAC(2S)-N-[3-(4-methoxyphenyl)propyl]-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)propanamide
SMILESCOc1ccc(CCCNC(=O)[C@H](C)Oc2ccc3c(c2)CCCC3)cc1
InChIInChI=1S/C23H29NO3/c1-17(27-22-14-11-19-7-3-4-8-20(19)16-22)23(25)24-15-5-6-18-9-12-21(26-2)13-10-18/h9-14,16-17H,3-8,15H2,1-2H3,(H,24,25)/t17-/m0/s1
InChIKeyGUPLWVJFCHOFPQ-KRWDZBQOSA-N
MW367.49 g/mol
LogP4.09
Rot. Bonds8

About (2S)-N-[3-(4-methoxyphenyl)propyl]-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)propanamide

(2S)-N-[3-(4-methoxyphenyl)propyl]-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)propanamide (PubChem CID 100566149) has the molecular formula C23H29NO3 and a molecular weight of 367.49 g/mol. Its IUPAC name is (2S)-N-[3-(4-methoxyphenyl)propyl]-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)propanamide.

Molecular Properties

Compound Name(2S)-N-[3-(4-methoxyphenyl)propyl]-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)propanamide
PubChem CID100566149
Molecular FormulaC23H29NO3
Molecular Weight367.49 g/mol
Exact Mass367.21
IUPAC Name(2S)-N-[3-(4-methoxyphenyl)propyl]-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)propanamide
SMILESCOc1ccc(CCCNC(=O)[C@H](C)Oc2ccc3c(c2)CCCC3)cc1
InChIInChI=1S/C23H29NO3/c1-17(27-22-14-11-19-7-3-4-8-20(19)16-22)23(25)24-15-5-6-18-9-12-21(26-2)13-10-18/h9-14,16-17H,3-8,15H2,1-2H3,(H,24,25)/t17-/m0/s1
InChIKeyGUPLWVJFCHOFPQ-KRWDZBQOSA-N
XLogP4.09
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.49
LogP ≤ 54.09
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

N-[3-(4-chlorophenyl)propyl]-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)propanamide
CID 133200044
(2R)-N-pentyl-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)propanamide
CID 100553248
N-(3-methylbutyl)-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)propanamide
CID 133235714
N-[3-(4-ethoxyphenyl)propyl]-2-(4-methoxyphenoxy)propanamide
CID 132653933
(2R)-N-[2-(4-propylphenoxy)ethyl]-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)propanamide
CID 100563802
N-[2-(4-propylphenoxy)ethyl]-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)propanamide
CID 133185610
N-(3-pyrrolidin-1-ylpropyl)-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)propanamide
CID 133162658
N-[3-(3,4-dimethoxyphenyl)propyl]-2-(4-methoxyphenoxy)propanamide
CID 48586822
(2S)-N-[3-(3-methoxyphenyl)propyl]-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)butanamide
CID 100654873
(2S)-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)-N-[(3,4,5-trimethoxyphenyl)methyl]propanamide
CID 100721079
(2S)-N-benzyl-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)propanamide
CID 100509467
N-[3-(3,4-dimethoxyphenyl)propyl]-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)butanamide
CID 133201702

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[3-(4-methoxyphenyl)propyl]-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)propanamide?
The IUPAC name of (2S)-N-[3-(4-methoxyphenyl)propyl]-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)propanamide (CID 100566149) is (2S)-N-[3-(4-methoxyphenyl)propyl]-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)propanamide.
What is the SMILES notation for (2S)-N-[3-(4-methoxyphenyl)propyl]-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)propanamide?
The canonical SMILES for (2S)-N-[3-(4-methoxyphenyl)propyl]-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)propanamide is COc1ccc(CCCNC(=O)[C@H](C)Oc2ccc3c(c2)CCCC3)cc1.
What is the InChIKey of (2S)-N-[3-(4-methoxyphenyl)propyl]-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)propanamide?
The InChIKey is GUPLWVJFCHOFPQ-KRWDZBQOSA-N. The full InChI is InChI=1S/C23H29NO3/c1-17(27-22-14-11-19-7-3-4-8-20(19)16-22)23(25)24-15-5-6-18-9-12-21(26-2)13-10-18/h9-14,16-17H,3-8,15H2,1-2H3,(H,24,25)/t17-/m0/s1.
What are the key properties of (2S)-N-[3-(4-methoxyphenyl)propyl]-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)propanamide?
(2S)-N-[3-(4-methoxyphenyl)propyl]-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)propanamide has a molecular weight of 367.49 g/mol, XLogP of 4.09, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[3-(4-methoxyphenyl)propyl]-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)propanamide is sourced from PubChem (CID 100566149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).