(2S)-2-(6-methoxynaphthalen-2-yl)-N-(4-prop-2-enoxyphenyl)propanamide

C23H23NO3 — CID 54790188

IUPAC(2S)-2-(6-methoxynaphthalen-2-yl)-N-(4-prop-2-enoxyphenyl)propanamide
SMILESC=CCOc1ccc(NC(=O)[C@@H](C)c2ccc3cc(OC)ccc3c2)cc1
InChIInChI=1S/C23H23NO3/c1-4-13-27-21-11-8-20(9-12-21)24-23(25)16(2)17-5-6-19-15-22(26-3)10-7-18(19)14-17/h4-12,14-16H,1,13H2,2-3H3,(H,24,25)/t16-/m0/s1
InChIKeyHSIFHYWLPZUGMC-INIZCTEOSA-N
MW361.44 g/mol
LogP5.16
Rot. Bonds7

About (2S)-2-(6-methoxynaphthalen-2-yl)-N-(4-prop-2-enoxyphenyl)propanamide

(2S)-2-(6-methoxynaphthalen-2-yl)-N-(4-prop-2-enoxyphenyl)propanamide (PubChem CID 54790188) has the molecular formula C23H23NO3 and a molecular weight of 361.44 g/mol. Its IUPAC name is (2S)-2-(6-methoxynaphthalen-2-yl)-N-(4-prop-2-enoxyphenyl)propanamide.

Molecular Properties

Compound Name(2S)-2-(6-methoxynaphthalen-2-yl)-N-(4-prop-2-enoxyphenyl)propanamide
PubChem CID54790188
Molecular FormulaC23H23NO3
Molecular Weight361.44 g/mol
Exact Mass361.17
IUPAC Name(2S)-2-(6-methoxynaphthalen-2-yl)-N-(4-prop-2-enoxyphenyl)propanamide
SMILESC=CCOc1ccc(NC(=O)[C@@H](C)c2ccc3cc(OC)ccc3c2)cc1
InChIInChI=1S/C23H23NO3/c1-4-13-27-21-11-8-20(9-12-21)24-23(25)16(2)17-5-6-19-15-22(26-3)10-7-18(19)14-17/h4-12,14-16H,1,13H2,2-3H3,(H,24,25)/t16-/m0/s1
InChIKeyHSIFHYWLPZUGMC-INIZCTEOSA-N
XLogP5.16
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500361.44
LogP ≤ 55.16
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-(4-hexoxyphenyl)-2-(6-methoxynaphthalen-2-yl)propanamide
CID 54790083
(2S)-N-(4-cyanophenyl)-2-(6-methoxynaphthalen-2-yl)propanamide
CID 26689476
(2S)-2-(6-methoxynaphthalen-2-yl)-N-[4-(2-phenylethoxy)phenyl]propanamide
CID 54790263
N-[4-(difluoromethoxy)phenyl]-2-(6-methoxynaphthalen-2-yl)propanamide
CID 55363194
(2S)-2-(4-methoxyphenoxy)-N-(4-prop-2-enoxyphenyl)propanamide
CID 9234546
2-(6-methoxynaphthalen-2-yl)-N-[4-(2-methyl-4-pyridinyl)phenyl]propanamide
CID 67308427
(2S)-2-(6-methoxynaphthalen-2-yl)-N-(3-methylphenyl)propanamide
CID 9038954
(2S)-N-hydroxy-2-(6-methoxynaphthalen-2-yl)propanamide
CID 92850098
(2S)-N-[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]-2-(6-methoxynaphthalen-2-yl)propanamide
CID 55941108
(2S)-2-(6-methoxynaphthalen-2-yl)-N-[4-[(2-morpholin-4-ylacetyl)amino]phenyl]propanamide
CID 55941741
(2S)-2-(6-methoxynaphthalen-2-yl)-N-(3-phenylmethoxyphenyl)propanamide
CID 54789941
(2S)-N-(2-hydroxypropyl)-2-(6-methoxynaphthalen-2-yl)propanamide
CID 110901591

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(6-methoxynaphthalen-2-yl)-N-(4-prop-2-enoxyphenyl)propanamide?
The IUPAC name of (2S)-2-(6-methoxynaphthalen-2-yl)-N-(4-prop-2-enoxyphenyl)propanamide (CID 54790188) is (2S)-2-(6-methoxynaphthalen-2-yl)-N-(4-prop-2-enoxyphenyl)propanamide.
What is the SMILES notation for (2S)-2-(6-methoxynaphthalen-2-yl)-N-(4-prop-2-enoxyphenyl)propanamide?
The canonical SMILES for (2S)-2-(6-methoxynaphthalen-2-yl)-N-(4-prop-2-enoxyphenyl)propanamide is C=CCOc1ccc(NC(=O)[C@@H](C)c2ccc3cc(OC)ccc3c2)cc1.
What is the InChIKey of (2S)-2-(6-methoxynaphthalen-2-yl)-N-(4-prop-2-enoxyphenyl)propanamide?
The InChIKey is HSIFHYWLPZUGMC-INIZCTEOSA-N. The full InChI is InChI=1S/C23H23NO3/c1-4-13-27-21-11-8-20(9-12-21)24-23(25)16(2)17-5-6-19-15-22(26-3)10-7-18(19)14-17/h4-12,14-16H,1,13H2,2-3H3,(H,24,25)/t16-/m0/s1.
What are the key properties of (2S)-2-(6-methoxynaphthalen-2-yl)-N-(4-prop-2-enoxyphenyl)propanamide?
(2S)-2-(6-methoxynaphthalen-2-yl)-N-(4-prop-2-enoxyphenyl)propanamide has a molecular weight of 361.44 g/mol, XLogP of 5.16, 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-(4-prop-2-enoxyphenyl)propanamide is sourced from PubChem (CID 54790188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).