methyl 2-acetamido-3-phenylpropanoate;1,2,3,5-tetramethylimidazolidin-4-one

C19H29N3O4 — CID 90845313

IUPACmethyl 2-acetamido-3-phenylpropanoate;1,2,3,5-tetramethylimidazolidin-4-one
SMILESCC1C(=O)N(C)C(C)N1C.COC(=O)C(Cc1ccccc1)NC(C)=O
InChIInChI=1S/C12H15NO3.C7H14N2O/c1-9(14)13-11(12(15)16-2)8-10-6-4-3-5-7-10;1-5-7(10)9(4)6(2)8(5)3/h3-7,11H,8H2,1-2H3,(H,13,14);5-6H,1-4H3
InChIKeyXMWWIQZFIAIRDR-UHFFFAOYSA-N
MW363.46 g/mol
LogP1.03
Rot. Bonds4

About methyl 2-acetamido-3-phenylpropanoate;1,2,3,5-tetramethylimidazolidin-4-one

methyl 2-acetamido-3-phenylpropanoate;1,2,3,5-tetramethylimidazolidin-4-one (PubChem CID 90845313) has the molecular formula C19H29N3O4 and a molecular weight of 363.46 g/mol. Its IUPAC name is methyl 2-acetamido-3-phenylpropanoate;1,2,3,5-tetramethylimidazolidin-4-one.

Molecular Properties

Compound Namemethyl 2-acetamido-3-phenylpropanoate;1,2,3,5-tetramethylimidazolidin-4-one
PubChem CID90845313
Molecular FormulaC19H29N3O4
Molecular Weight363.46 g/mol
Exact Mass363.22
IUPAC Namemethyl 2-acetamido-3-phenylpropanoate;1,2,3,5-tetramethylimidazolidin-4-one
SMILESCC1C(=O)N(C)C(C)N1C.COC(=O)C(Cc1ccccc1)NC(C)=O
InChIInChI=1S/C12H15NO3.C7H14N2O/c1-9(14)13-11(12(15)16-2)8-10-6-4-3-5-7-10;1-5-7(10)9(4)6(2)8(5)3/h3-7,11H,8H2,1-2H3,(H,13,14);5-6H,1-4H3
InChIKeyXMWWIQZFIAIRDR-UHFFFAOYSA-N
XLogP1.03
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.46
LogP ≤ 51.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethane;methyl 2-acetamido-3-phenylpropanoate;N-methylmethanamine
CID 91439308
N,N-dimethylacetamide;ethane;methyl 2-acetamido-3-phenylpropanoate
CID 91577350
methyl (2S)-2-[[(2S)-2-acetamidopropanoyl]amino]-3-phenylpropanoate
CID 11140872
propyl 2-acetamido-3-phenylpropanoate
CID 3917469
fluoro 2-acetamido-3-phenylpropanoate
CID 171034994
methyl (2S)-2-[[(2R)-2-amino-3-phenylpropanoyl]amino]-3-phenylpropanoate
CID 10663892
(1-methoxy-1-oxo-3-phenylpropan-2-yl)carbamothioic S-acid
CID 89345339
(1,3-dioxoisoindol-2-yl) 2-acetamido-3-phenylpropanoate
CID 146479587
tert-butyl 2-acetamido-3-phenylpropanoate
CID 70959830
methyl (2S)-2-[(2,2-diphenylacetyl)amino]-3-phenylpropanoate
CID 6992952
methyl (2S)-2-[[(2S)-2-acetamido-3-phenylpropanoyl]amino]-3-(4-acetyloxyphenyl)propanoate
CID 102368941
bis(2-acetamido-3-phenylpropanoic acid);tetrakis(N,N-dimethylacetamide);ethane;methanamine;hexakis(methyl 2-acetamido-3-phenylpropanoate);bis(N-methylmethanamine)
CID 159994995

Frequently Asked Questions

What is the IUPAC name of methyl 2-acetamido-3-phenylpropanoate;1,2,3,5-tetramethylimidazolidin-4-one?
The IUPAC name of methyl 2-acetamido-3-phenylpropanoate;1,2,3,5-tetramethylimidazolidin-4-one (CID 90845313) is methyl 2-acetamido-3-phenylpropanoate;1,2,3,5-tetramethylimidazolidin-4-one.
What is the SMILES notation for methyl 2-acetamido-3-phenylpropanoate;1,2,3,5-tetramethylimidazolidin-4-one?
The canonical SMILES for methyl 2-acetamido-3-phenylpropanoate;1,2,3,5-tetramethylimidazolidin-4-one is CC1C(=O)N(C)C(C)N1C.COC(=O)C(Cc1ccccc1)NC(C)=O.
What is the InChIKey of methyl 2-acetamido-3-phenylpropanoate;1,2,3,5-tetramethylimidazolidin-4-one?
The InChIKey is XMWWIQZFIAIRDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO3.C7H14N2O/c1-9(14)13-11(12(15)16-2)8-10-6-4-3-5-7-10;1-5-7(10)9(4)6(2)8(5)3/h3-7,11H,8H2,1-2H3,(H,13,14);5-6H,1-4H3.
What are the key properties of methyl 2-acetamido-3-phenylpropanoate;1,2,3,5-tetramethylimidazolidin-4-one?
methyl 2-acetamido-3-phenylpropanoate;1,2,3,5-tetramethylimidazolidin-4-one has a molecular weight of 363.46 g/mol, XLogP of 1.03, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-acetamido-3-phenylpropanoate;1,2,3,5-tetramethylimidazolidin-4-one is sourced from PubChem (CID 90845313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).