(2S)-2-(6-methoxynaphthalen-2-yl)-N-[2-(2-methylprop-2-enoxy)phenyl]propanamide

C24H25NO3 — CID 54790110

IUPAC(2S)-2-(6-methoxynaphthalen-2-yl)-N-[2-(2-methylprop-2-enoxy)phenyl]propanamide
SMILESC=C(C)COc1ccccc1NC(=O)[C@@H](C)c1ccc2cc(OC)ccc2c1
InChIInChI=1S/C24H25NO3/c1-16(2)15-28-23-8-6-5-7-22(23)25-24(26)17(3)18-9-10-20-14-21(27-4)12-11-19(20)13-18/h5-14,17H,1,15H2,2-4H3,(H,25,26)/t17-/m0/s1
InChIKeyHWMRFHUCNRXPMF-KRWDZBQOSA-N
MW375.47 g/mol
LogP5.55
Rot. Bonds7

About (2S)-2-(6-methoxynaphthalen-2-yl)-N-[2-(2-methylprop-2-enoxy)phenyl]propanamide

(2S)-2-(6-methoxynaphthalen-2-yl)-N-[2-(2-methylprop-2-enoxy)phenyl]propanamide (PubChem CID 54790110) has the molecular formula C24H25NO3 and a molecular weight of 375.47 g/mol. Its IUPAC name is (2S)-2-(6-methoxynaphthalen-2-yl)-N-[2-(2-methylprop-2-enoxy)phenyl]propanamide.

Molecular Properties

Compound Name(2S)-2-(6-methoxynaphthalen-2-yl)-N-[2-(2-methylprop-2-enoxy)phenyl]propanamide
PubChem CID54790110
Molecular FormulaC24H25NO3
Molecular Weight375.47 g/mol
Exact Mass375.18
IUPAC Name(2S)-2-(6-methoxynaphthalen-2-yl)-N-[2-(2-methylprop-2-enoxy)phenyl]propanamide
SMILESC=C(C)COc1ccccc1NC(=O)[C@@H](C)c1ccc2cc(OC)ccc2c1
InChIInChI=1S/C24H25NO3/c1-16(2)15-28-23-8-6-5-7-22(23)25-24(26)17(3)18-9-10-20-14-21(27-4)12-11-19(20)13-18/h5-14,17H,1,15H2,2-4H3,(H,25,26)/t17-/m0/s1
InChIKeyHWMRFHUCNRXPMF-KRWDZBQOSA-N
XLogP5.55
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500375.47
LogP ≤ 55.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

(2S)-N-(2,5-diethoxyphenyl)-2-(6-methoxynaphthalen-2-yl)propanamide
CID 9118488
N-[2-[[(2S)-2-(6-methoxynaphthalen-2-yl)propanoyl]amino]phenyl]benzamide
CID 33145427
(2S)-N-(3-chloro-2-fluorophenyl)-2-(6-methoxynaphthalen-2-yl)propanamide
CID 29227566
(2S)-2-(6-methoxynaphthalen-2-yl)-N-(3-phenylmethoxyphenyl)propanamide
CID 54789941
2-methyl-N-[[2-(2-methylprop-2-enoxy)phenyl]carbamothioyl]propanamide
CID 17113349
(2S)-2-(6-methoxynaphthalen-2-yl)-N-(4-prop-2-enoxyphenyl)propanamide
CID 54790188
(2S)-N-hydroxy-2-(6-methoxynaphthalen-2-yl)propanamide
CID 92850098
(2R)-N-(2,4-dimethoxyphenyl)-2-phenylpropanamide
CID 97038174
(2S)-N-[2-(2-bromoanilino)-2-oxoethyl]-2-(6-methoxynaphthalen-2-yl)propanamide
CID 17434958
(2S)-2-(6-methoxynaphthalen-2-yl)-N-[4-(2-phenylethoxy)phenyl]propanamide
CID 54790263
[2-(2-methylanilino)-2-oxoethyl] (2S)-2-(6-methoxynaphthalen-2-yl)propanoate
CID 8951836
(2S)-2-(6-methoxynaphthalen-2-yl)-N-(3-methylphenyl)propanamide
CID 9038954

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(6-methoxynaphthalen-2-yl)-N-[2-(2-methylprop-2-enoxy)phenyl]propanamide?
The IUPAC name of (2S)-2-(6-methoxynaphthalen-2-yl)-N-[2-(2-methylprop-2-enoxy)phenyl]propanamide (CID 54790110) is (2S)-2-(6-methoxynaphthalen-2-yl)-N-[2-(2-methylprop-2-enoxy)phenyl]propanamide.
What is the SMILES notation for (2S)-2-(6-methoxynaphthalen-2-yl)-N-[2-(2-methylprop-2-enoxy)phenyl]propanamide?
The canonical SMILES for (2S)-2-(6-methoxynaphthalen-2-yl)-N-[2-(2-methylprop-2-enoxy)phenyl]propanamide is C=C(C)COc1ccccc1NC(=O)[C@@H](C)c1ccc2cc(OC)ccc2c1.
What is the InChIKey of (2S)-2-(6-methoxynaphthalen-2-yl)-N-[2-(2-methylprop-2-enoxy)phenyl]propanamide?
The InChIKey is HWMRFHUCNRXPMF-KRWDZBQOSA-N. The full InChI is InChI=1S/C24H25NO3/c1-16(2)15-28-23-8-6-5-7-22(23)25-24(26)17(3)18-9-10-20-14-21(27-4)12-11-19(20)13-18/h5-14,17H,1,15H2,2-4H3,(H,25,26)/t17-/m0/s1.
What are the key properties of (2S)-2-(6-methoxynaphthalen-2-yl)-N-[2-(2-methylprop-2-enoxy)phenyl]propanamide?
(2S)-2-(6-methoxynaphthalen-2-yl)-N-[2-(2-methylprop-2-enoxy)phenyl]propanamide has a molecular weight of 375.47 g/mol, XLogP of 5.55, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(6-methoxynaphthalen-2-yl)-N-[2-(2-methylprop-2-enoxy)phenyl]propanamide is sourced from PubChem (CID 54790110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).