(2S)-N-[(2R)-1-(4-methoxyphenoxy)propan-2-yl]-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)butanamide

C24H31NO4 — CID 100527759

IUPAC(2S)-N-[(2R)-1-(4-methoxyphenoxy)propan-2-yl]-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)butanamide
SMILESCC[C@H](Oc1ccc2c(c1)CCCC2)C(=O)N[C@H](C)COc1ccc(OC)cc1
InChIInChI=1S/C24H31NO4/c1-4-23(29-22-10-9-18-7-5-6-8-19(18)15-22)24(26)25-17(2)16-28-21-13-11-20(27-3)12-14-21/h9-15,17,23H,4-8,16H2,1-3H3,(H,25,26)/t17-,23+/m1/s1
InChIKeyUJBOQQVWONFVME-HXOBKFHXSA-N
MW397.52 g/mol
LogP4.32
Rot. Bonds9

About (2S)-N-[(2R)-1-(4-methoxyphenoxy)propan-2-yl]-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)butanamide

(2S)-N-[(2R)-1-(4-methoxyphenoxy)propan-2-yl]-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)butanamide (PubChem CID 100527759) has the molecular formula C24H31NO4 and a molecular weight of 397.52 g/mol. Its IUPAC name is (2S)-N-[(2R)-1-(4-methoxyphenoxy)propan-2-yl]-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)butanamide.

Molecular Properties

Compound Name(2S)-N-[(2R)-1-(4-methoxyphenoxy)propan-2-yl]-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)butanamide
PubChem CID100527759
Molecular FormulaC24H31NO4
Molecular Weight397.52 g/mol
Exact Mass397.23
IUPAC Name(2S)-N-[(2R)-1-(4-methoxyphenoxy)propan-2-yl]-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)butanamide
SMILESCC[C@H](Oc1ccc2c(c1)CCCC2)C(=O)N[C@H](C)COc1ccc(OC)cc1
InChIInChI=1S/C24H31NO4/c1-4-23(29-22-10-9-18-7-5-6-8-19(18)15-22)24(26)25-17(2)16-28-21-13-11-20(27-3)12-14-21/h9-15,17,23H,4-8,16H2,1-3H3,(H,25,26)/t17-,23+/m1/s1
InChIKeyUJBOQQVWONFVME-HXOBKFHXSA-N
XLogP4.32
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.52
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-N-[(2R)-1-(4-methoxyphenoxy)propan-2-yl]-2-naphthalen-2-yloxybutanamide
CID 92681531
N-[1-(4-methoxyphenoxy)propan-2-yl]-2-phenoxybutanamide
CID 132652458
N-[(4-methoxyphenyl)methyl]-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)butanamide
CID 133185836
2-(3-chlorophenoxy)-N-[1-(4-methoxyphenoxy)propan-2-yl]butanamide
CID 43877185
N-[1-(4-ethylphenyl)ethyl]-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)butanamide
CID 133160109
N-cycloheptyl-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)butanamide
CID 133264467
N-[1-(4-tert-butylphenyl)ethyl]-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)butanamide
CID 133184920
(2R)-N-(2-chlorophenyl)-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)butanamide
CID 100755174
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-(3-propan-2-yloxyphenyl)-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)butanamide
CID 133199833
methyl 4,5-dimethoxy-2-[[(2R)-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)butanoyl]amino]benzoate
CID 100518071

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[(2R)-1-(4-methoxyphenoxy)propan-2-yl]-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)butanamide?
The IUPAC name of (2S)-N-[(2R)-1-(4-methoxyphenoxy)propan-2-yl]-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)butanamide (CID 100527759) is (2S)-N-[(2R)-1-(4-methoxyphenoxy)propan-2-yl]-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)butanamide.
What is the SMILES notation for (2S)-N-[(2R)-1-(4-methoxyphenoxy)propan-2-yl]-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)butanamide?
The canonical SMILES for (2S)-N-[(2R)-1-(4-methoxyphenoxy)propan-2-yl]-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)butanamide is CC[C@H](Oc1ccc2c(c1)CCCC2)C(=O)N[C@H](C)COc1ccc(OC)cc1.
What is the InChIKey of (2S)-N-[(2R)-1-(4-methoxyphenoxy)propan-2-yl]-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)butanamide?
The InChIKey is UJBOQQVWONFVME-HXOBKFHXSA-N. The full InChI is InChI=1S/C24H31NO4/c1-4-23(29-22-10-9-18-7-5-6-8-19(18)15-22)24(26)25-17(2)16-28-21-13-11-20(27-3)12-14-21/h9-15,17,23H,4-8,16H2,1-3H3,(H,25,26)/t17-,23+/m1/s1.
What are the key properties of (2S)-N-[(2R)-1-(4-methoxyphenoxy)propan-2-yl]-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)butanamide?
(2S)-N-[(2R)-1-(4-methoxyphenoxy)propan-2-yl]-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)butanamide has a molecular weight of 397.52 g/mol, XLogP of 4.32, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[(2R)-1-(4-methoxyphenoxy)propan-2-yl]-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)butanamide is sourced from PubChem (CID 100527759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).