(2S)-2-(4-methoxyphenoxy)-N-(4-prop-2-enoxyphenyl)propanamide

C19H21NO4 — CID 9234546

IUPAC(2S)-2-(4-methoxyphenoxy)-N-(4-prop-2-enoxyphenyl)propanamide
SMILESC=CCOc1ccc(NC(=O)[C@H](C)Oc2ccc(OC)cc2)cc1
InChIInChI=1S/C19H21NO4/c1-4-13-23-17-7-5-15(6-8-17)20-19(21)14(2)24-18-11-9-16(22-3)10-12-18/h4-12,14H,1,13H2,2-3H3,(H,20,21)/t14-/m0/s1
InChIKeyKTNVTEGEIZMQKJ-AWEZNQCLSA-N
MW327.38 g/mol
LogP3.67
Rot. Bonds8

About (2S)-2-(4-methoxyphenoxy)-N-(4-prop-2-enoxyphenyl)propanamide

(2S)-2-(4-methoxyphenoxy)-N-(4-prop-2-enoxyphenyl)propanamide (PubChem CID 9234546) has the molecular formula C19H21NO4 and a molecular weight of 327.38 g/mol. Its IUPAC name is (2S)-2-(4-methoxyphenoxy)-N-(4-prop-2-enoxyphenyl)propanamide.

Molecular Properties

Compound Name(2S)-2-(4-methoxyphenoxy)-N-(4-prop-2-enoxyphenyl)propanamide
PubChem CID9234546
Molecular FormulaC19H21NO4
Molecular Weight327.38 g/mol
Exact Mass327.15
IUPAC Name(2S)-2-(4-methoxyphenoxy)-N-(4-prop-2-enoxyphenyl)propanamide
SMILESC=CCOc1ccc(NC(=O)[C@H](C)Oc2ccc(OC)cc2)cc1
InChIInChI=1S/C19H21NO4/c1-4-13-23-17-7-5-15(6-8-17)20-19(21)14(2)24-18-11-9-16(22-3)10-12-18/h4-12,14H,1,13H2,2-3H3,(H,20,21)/t14-/m0/s1
InChIKeyKTNVTEGEIZMQKJ-AWEZNQCLSA-N
XLogP3.67
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.38
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-phenoxy-N-(4-prop-2-enoxyphenyl)propanamide
CID 4952534
(2R)-2-(4-tert-butylphenoxy)-N-(4-prop-2-enoxyphenyl)propanamide
CID 26075067
(2S)-2-(3-chlorophenoxy)-N-(4-prop-2-enoxyphenyl)propanamide
CID 30395136
2-(2,6-dimethylphenoxy)-N-(4-prop-2-enoxyphenyl)propanamide
CID 4958570
N-[4-(2-ethoxyethoxy)phenyl]-2-(4-methoxyphenoxy)propanamide
CID 17130597
N-(4-methoxyphenyl)-2-(4-phenylphenoxy)propanamide
CID 4951720
(2R)-N-(4-hexoxyphenyl)-2-(4-methoxyphenoxy)propanamide
CID 8757311
(2S)-2-(6-methoxynaphthalen-2-yl)-N-(4-prop-2-enoxyphenyl)propanamide
CID 54790188
N-(4-iodophenyl)-2-(4-methoxyphenoxy)propanamide
CID 2952531
(2S)-2-(4-bromophenoxy)-N-(4-methoxyphenyl)propanamide
CID 7899999
N-(4-bromophenyl)-2-(4-methoxyphenoxy)propanamide
CID 2789595
2-(4-methoxyphenoxy)-N-(4-propan-2-ylphenyl)propanamide
CID 2951611

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(4-methoxyphenoxy)-N-(4-prop-2-enoxyphenyl)propanamide?
The IUPAC name of (2S)-2-(4-methoxyphenoxy)-N-(4-prop-2-enoxyphenyl)propanamide (CID 9234546) is (2S)-2-(4-methoxyphenoxy)-N-(4-prop-2-enoxyphenyl)propanamide.
What is the SMILES notation for (2S)-2-(4-methoxyphenoxy)-N-(4-prop-2-enoxyphenyl)propanamide?
The canonical SMILES for (2S)-2-(4-methoxyphenoxy)-N-(4-prop-2-enoxyphenyl)propanamide is C=CCOc1ccc(NC(=O)[C@H](C)Oc2ccc(OC)cc2)cc1.
What is the InChIKey of (2S)-2-(4-methoxyphenoxy)-N-(4-prop-2-enoxyphenyl)propanamide?
The InChIKey is KTNVTEGEIZMQKJ-AWEZNQCLSA-N. The full InChI is InChI=1S/C19H21NO4/c1-4-13-23-17-7-5-15(6-8-17)20-19(21)14(2)24-18-11-9-16(22-3)10-12-18/h4-12,14H,1,13H2,2-3H3,(H,20,21)/t14-/m0/s1.
What are the key properties of (2S)-2-(4-methoxyphenoxy)-N-(4-prop-2-enoxyphenyl)propanamide?
(2S)-2-(4-methoxyphenoxy)-N-(4-prop-2-enoxyphenyl)propanamide has a molecular weight of 327.38 g/mol, XLogP of 3.67, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(4-methoxyphenoxy)-N-(4-prop-2-enoxyphenyl)propanamide is sourced from PubChem (CID 9234546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).