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

C23H29NO5 — CID 100721079

IUPAC(2S)-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)-N-[(3,4,5-trimethoxyphenyl)methyl]propanamide
SMILESCOc1cc(CNC(=O)[C@H](C)Oc2ccc3c(c2)CCCC3)cc(OC)c1OC
InChIInChI=1S/C23H29NO5/c1-15(29-19-10-9-17-7-5-6-8-18(17)13-19)23(25)24-14-16-11-20(26-2)22(28-4)21(12-16)27-3/h9-13,15H,5-8,14H2,1-4H3,(H,24,25)/t15-/m0/s1
InChIKeyLAUMROVUYZMFCK-HNNXBMFYSA-N
MW399.49 g/mol
LogP3.67
Rot. Bonds8

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

(2S)-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)-N-[(3,4,5-trimethoxyphenyl)methyl]propanamide (PubChem CID 100721079) has the molecular formula C23H29NO5 and a molecular weight of 399.49 g/mol. Its IUPAC name is (2S)-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)-N-[(3,4,5-trimethoxyphenyl)methyl]propanamide.

Molecular Properties

Compound Name(2S)-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)-N-[(3,4,5-trimethoxyphenyl)methyl]propanamide
PubChem CID100721079
Molecular FormulaC23H29NO5
Molecular Weight399.49 g/mol
Exact Mass399.20
IUPAC Name(2S)-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)-N-[(3,4,5-trimethoxyphenyl)methyl]propanamide
SMILESCOc1cc(CNC(=O)[C@H](C)Oc2ccc3c(c2)CCCC3)cc(OC)c1OC
InChIInChI=1S/C23H29NO5/c1-15(29-19-10-9-17-7-5-6-8-18(17)13-19)23(25)24-14-16-11-20(26-2)22(28-4)21(12-16)27-3/h9-13,15H,5-8,14H2,1-4H3,(H,24,25)/t15-/m0/s1
InChIKeyLAUMROVUYZMFCK-HNNXBMFYSA-N
XLogP3.67
TPSA66.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.49
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-N-benzyl-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)propanamide
CID 100509467
(2S)-N-[3-(4-methoxyphenyl)propyl]-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)propanamide
CID 100566149
(2R)-2-(3-chlorophenoxy)-N-[(3,4,5-trimethoxyphenyl)methyl]propanamide
CID 41261490
N-[[4-[(4-fluorophenyl)methoxy]phenyl]methyl]-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)propanamide
CID 133199284
N-[(3-ethoxyphenyl)methyl]-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)propanamide
CID 133235704
N-(3-methylbutyl)-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)propanamide
CID 133235714
(2R)-N-[(4-morpholin-4-ylphenyl)methyl]-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)propanamide
CID 100717488
(2R)-N-pentyl-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)propanamide
CID 100553248
N-[(4-methoxyphenyl)methyl]-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)butanamide
CID 133185836
N-(2,4-dimethoxyphenyl)-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)propanamide
CID 133187208
(2R)-N-[(4-imidazol-1-ylphenyl)methyl]-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)propanamide
CID 100546752
2-(2,3-dimethylphenoxy)-N-[(3,4,5-trimethoxyphenyl)methyl]propanamide
CID 132656072

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)-N-[(3,4,5-trimethoxyphenyl)methyl]propanamide?
The IUPAC name of (2S)-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)-N-[(3,4,5-trimethoxyphenyl)methyl]propanamide (CID 100721079) is (2S)-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)-N-[(3,4,5-trimethoxyphenyl)methyl]propanamide.
What is the SMILES notation for (2S)-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)-N-[(3,4,5-trimethoxyphenyl)methyl]propanamide?
The canonical SMILES for (2S)-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)-N-[(3,4,5-trimethoxyphenyl)methyl]propanamide is COc1cc(CNC(=O)[C@H](C)Oc2ccc3c(c2)CCCC3)cc(OC)c1OC.
What is the InChIKey of (2S)-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)-N-[(3,4,5-trimethoxyphenyl)methyl]propanamide?
The InChIKey is LAUMROVUYZMFCK-HNNXBMFYSA-N. The full InChI is InChI=1S/C23H29NO5/c1-15(29-19-10-9-17-7-5-6-8-18(17)13-19)23(25)24-14-16-11-20(26-2)22(28-4)21(12-16)27-3/h9-13,15H,5-8,14H2,1-4H3,(H,24,25)/t15-/m0/s1.
What are the key properties of (2S)-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)-N-[(3,4,5-trimethoxyphenyl)methyl]propanamide?
(2S)-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)-N-[(3,4,5-trimethoxyphenyl)methyl]propanamide has a molecular weight of 399.49 g/mol, XLogP of 3.67, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)-N-[(3,4,5-trimethoxyphenyl)methyl]propanamide is sourced from PubChem (CID 100721079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).