2-methoxyethyl (2R)-2-[bis(prop-2-enyl)amino]-3-phenylpropanoate

C18H25NO3 — CID 5325992

IUPAC2-methoxyethyl (2R)-2-[bis(prop-2-enyl)amino]-3-phenylpropanoate
SMILESC=CCN(CC=C)[C@H](Cc1ccccc1)C(=O)OCCOC
InChIInChI=1S/C18H25NO3/c1-4-11-19(12-5-2)17(18(20)22-14-13-21-3)15-16-9-7-6-8-10-16/h4-10,17H,1-2,11-15H2,3H3/t17-/m1/s1
InChIKeyKDXXZCSXVRZRAE-QGZVFWFLSA-N
MW303.40 g/mol
LogP2.46
Rot. Bonds11

About 2-methoxyethyl (2R)-2-[bis(prop-2-enyl)amino]-3-phenylpropanoate

2-methoxyethyl (2R)-2-[bis(prop-2-enyl)amino]-3-phenylpropanoate (PubChem CID 5325992) has the molecular formula C18H25NO3 and a molecular weight of 303.40 g/mol. Its IUPAC name is 2-methoxyethyl (2R)-2-[bis(prop-2-enyl)amino]-3-phenylpropanoate.

Molecular Properties

Compound Name2-methoxyethyl (2R)-2-[bis(prop-2-enyl)amino]-3-phenylpropanoate
PubChem CID5325992
Molecular FormulaC18H25NO3
Molecular Weight303.40 g/mol
Exact Mass303.18
IUPAC Name2-methoxyethyl (2R)-2-[bis(prop-2-enyl)amino]-3-phenylpropanoate
SMILESC=CCN(CC=C)[C@H](Cc1ccccc1)C(=O)OCCOC
InChIInChI=1S/C18H25NO3/c1-4-11-19(12-5-2)17(18(20)22-14-13-21-3)15-16-9-7-6-8-10-16/h4-10,17H,1-2,11-15H2,3H3/t17-/m1/s1
InChIKeyKDXXZCSXVRZRAE-QGZVFWFLSA-N
XLogP2.46
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.40
LogP ≤ 52.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

bis[[(2S)-1-methoxy-1-oxo-3-phenylpropan-2-yl]-prop-2-enylamino]-oxophosphanium
CID 15499310
prop-2-enyl 2-(dibenzylamino)-3-phenylpropanoate
CID 86226011
2-methoxyethyl (2R)-2-amino-3-phenylpropanoate
CID 104902257
methyl (2S)-2-[benzyl(but-3-enyl)amino]-3-phenylpropanoate
CID 59990290
methyl (2S)-2-[[ethenyl-[ethenyl-[[(2S)-1-methoxy-1-oxo-3-phenylpropan-2-yl]-prop-2-enylamino]phosphoryl]oxyphosphoryl]-prop-2-enylamino]-3-phenylpropanoate
CID 10651215
4-[benzyl(prop-2-enyl)amino]-2-methyl-5-phenylpent-1-en-3-one
CID 134887103
1-N-(2-methoxyethyl)-3-phenyl-1-N-prop-2-enylpropane-1,2-diamine
CID 103339332
2-[(4-fluoro-3-methoxyphenyl)methyl-prop-2-enylamino]-3-phenylpropanoic acid
CID 167877093
2-[methyl(prop-2-enoxycarbonyl)amino]-3-phenylpropanoic acid
CID 22065908
benzyl (2R)-2-(dibenzylamino)-3-phenylpropanoate
CID 36689310
2-(dihydroxyamino)-3-phenylpropanoic acid;prop-2-enoic acid
CID 174675777
methyl (2S)-2-[bis(prop-2-enyl)amino]-3-(1H-indol-3-yl)propanoate
CID 102183904

Frequently Asked Questions

What is the IUPAC name of 2-methoxyethyl (2R)-2-[bis(prop-2-enyl)amino]-3-phenylpropanoate?
The IUPAC name of 2-methoxyethyl (2R)-2-[bis(prop-2-enyl)amino]-3-phenylpropanoate (CID 5325992) is 2-methoxyethyl (2R)-2-[bis(prop-2-enyl)amino]-3-phenylpropanoate.
What is the SMILES notation for 2-methoxyethyl (2R)-2-[bis(prop-2-enyl)amino]-3-phenylpropanoate?
The canonical SMILES for 2-methoxyethyl (2R)-2-[bis(prop-2-enyl)amino]-3-phenylpropanoate is C=CCN(CC=C)[C@H](Cc1ccccc1)C(=O)OCCOC.
What is the InChIKey of 2-methoxyethyl (2R)-2-[bis(prop-2-enyl)amino]-3-phenylpropanoate?
The InChIKey is KDXXZCSXVRZRAE-QGZVFWFLSA-N. The full InChI is InChI=1S/C18H25NO3/c1-4-11-19(12-5-2)17(18(20)22-14-13-21-3)15-16-9-7-6-8-10-16/h4-10,17H,1-2,11-15H2,3H3/t17-/m1/s1.
What are the key properties of 2-methoxyethyl (2R)-2-[bis(prop-2-enyl)amino]-3-phenylpropanoate?
2-methoxyethyl (2R)-2-[bis(prop-2-enyl)amino]-3-phenylpropanoate has a molecular weight of 303.40 g/mol, XLogP of 2.46, 11 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxyethyl (2R)-2-[bis(prop-2-enyl)amino]-3-phenylpropanoate is sourced from PubChem (CID 5325992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).