(2S)-N-ethyl-2-[[2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]acetyl]amino]propanamide

C17H24N2O4 — CID 8751619

IUPAC(2S)-N-ethyl-2-[[2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]acetyl]amino]propanamide
SMILESC/C=C/c1ccc(OCC(=O)N[C@@H](C)C(=O)NCC)c(OC)c1
InChIInChI=1S/C17H24N2O4/c1-5-7-13-8-9-14(15(10-13)22-4)23-11-16(20)19-12(3)17(21)18-6-2/h5,7-10,12H,6,11H2,1-4H3,(H,18,21)(H,19,20)/b7-5+/t12-/m0/s1
InChIKeyYKXUWZGTDVJKAR-PZBABLGHSA-N
MW320.39 g/mol
LogP1.75
Rot. Bonds8

About (2S)-N-ethyl-2-[[2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]acetyl]amino]propanamide

(2S)-N-ethyl-2-[[2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]acetyl]amino]propanamide (PubChem CID 8751619) has the molecular formula C17H24N2O4 and a molecular weight of 320.39 g/mol. Its IUPAC name is (2S)-N-ethyl-2-[[2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]acetyl]amino]propanamide.

Molecular Properties

Compound Name(2S)-N-ethyl-2-[[2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]acetyl]amino]propanamide
PubChem CID8751619
Molecular FormulaC17H24N2O4
Molecular Weight320.39 g/mol
Exact Mass320.17
IUPAC Name(2S)-N-ethyl-2-[[2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]acetyl]amino]propanamide
SMILESC/C=C/c1ccc(OCC(=O)N[C@@H](C)C(=O)NCC)c(OC)c1
InChIInChI=1S/C17H24N2O4/c1-5-7-13-8-9-14(15(10-13)22-4)23-11-16(20)19-12(3)17(21)18-6-2/h5,7-10,12H,6,11H2,1-4H3,(H,18,21)(H,19,20)/b7-5+/t12-/m0/s1
InChIKeyYKXUWZGTDVJKAR-PZBABLGHSA-N
XLogP1.75
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.39
LogP ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (2S)-N-ethyl-2-[[2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]acetyl]amino]propanamide with MolForge

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Related Compounds

N-(1-hydroxypropan-2-yl)-2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]acetamide
CID 78857545
N-[(2R)-2-(ethylamino)propyl]-2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]acetamide;hydrochloride
CID 120650568
(2S)-N-ethyl-2-[[2-(2-methoxyphenoxy)acetyl]amino]propanamide
CID 8750931
(2S)-N-ethyl-2-[[(E)-3-[3-methoxy-4-(2-methylpropoxy)phenyl]prop-2-enoyl]amino]propanamide
CID 8751665
2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]-N-[1-(2-methylphenyl)ethyl]acetamide
CID 24635638
1-(2-methoxy-4-prop-1-enylphenoxy)-3-methylbutan-2-one
CID 79395591
[2-[[(2S)-3-methylbutan-2-yl]amino]-2-oxoethyl] 2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]acetate
CID 8527680
2-[[2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]acetyl]amino]acetamide
CID 9296003
[2-[[(2R)-1-(ethylamino)-1-oxopropan-2-yl]amino]-2-oxoethyl] (E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate
CID 9200385
1-(2-methoxy-4-prop-1-enylphenoxy)butan-2-one
CID 76931733
2-(2-methoxy-4-prop-1-enylphenoxy)-N,N-di(propan-2-yl)acetamide
CID 78766138
(2S)-N-ethyl-2-[[2-(2-methoxy-5-nitrophenoxy)acetyl]amino]propanamide
CID 8566597

Frequently Asked Questions

What is the IUPAC name of (2S)-N-ethyl-2-[[2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]acetyl]amino]propanamide?
The IUPAC name of (2S)-N-ethyl-2-[[2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]acetyl]amino]propanamide (CID 8751619) is (2S)-N-ethyl-2-[[2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]acetyl]amino]propanamide.
What is the SMILES notation for (2S)-N-ethyl-2-[[2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]acetyl]amino]propanamide?
The canonical SMILES for (2S)-N-ethyl-2-[[2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]acetyl]amino]propanamide is C/C=C/c1ccc(OCC(=O)N[C@@H](C)C(=O)NCC)c(OC)c1.
What is the InChIKey of (2S)-N-ethyl-2-[[2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]acetyl]amino]propanamide?
The InChIKey is YKXUWZGTDVJKAR-PZBABLGHSA-N. The full InChI is InChI=1S/C17H24N2O4/c1-5-7-13-8-9-14(15(10-13)22-4)23-11-16(20)19-12(3)17(21)18-6-2/h5,7-10,12H,6,11H2,1-4H3,(H,18,21)(H,19,20)/b7-5+/t12-/m0/s1.
What are the key properties of (2S)-N-ethyl-2-[[2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]acetyl]amino]propanamide?
(2S)-N-ethyl-2-[[2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]acetyl]amino]propanamide has a molecular weight of 320.39 g/mol, XLogP of 1.75, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-ethyl-2-[[2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]acetyl]amino]propanamide is sourced from PubChem (CID 8751619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).