methyl 2-[(4-methoxybenzoyl)-phenacylamino]-3-methylbutanoate

C22H25NO5 — CID 90966545

IUPACmethyl 2-[(4-methoxybenzoyl)-phenacylamino]-3-methylbutanoate
SMILESCOC(=O)C(C(C)C)N(CC(=O)c1ccccc1)C(=O)c1ccc(OC)cc1
InChIInChI=1S/C22H25NO5/c1-15(2)20(22(26)28-4)23(14-19(24)16-8-6-5-7-9-16)21(25)17-10-12-18(27-3)13-11-17/h5-13,15,20H,14H2,1-4H3
InChIKeyGVWPEXHVCLAHQC-UHFFFAOYSA-N
MW383.44 g/mol
LogP3.22
Rot. Bonds8

About methyl 2-[(4-methoxybenzoyl)-phenacylamino]-3-methylbutanoate

methyl 2-[(4-methoxybenzoyl)-phenacylamino]-3-methylbutanoate (PubChem CID 90966545) has the molecular formula C22H25NO5 and a molecular weight of 383.44 g/mol. Its IUPAC name is methyl 2-[(4-methoxybenzoyl)-phenacylamino]-3-methylbutanoate.

Molecular Properties

Compound Namemethyl 2-[(4-methoxybenzoyl)-phenacylamino]-3-methylbutanoate
PubChem CID90966545
Molecular FormulaC22H25NO5
Molecular Weight383.44 g/mol
Exact Mass383.17
IUPAC Namemethyl 2-[(4-methoxybenzoyl)-phenacylamino]-3-methylbutanoate
SMILESCOC(=O)C(C(C)C)N(CC(=O)c1ccccc1)C(=O)c1ccc(OC)cc1
InChIInChI=1S/C22H25NO5/c1-15(2)20(22(26)28-4)23(14-19(24)16-8-6-5-7-9-16)21(25)17-10-12-18(27-3)13-11-17/h5-13,15,20H,14H2,1-4H3
InChIKeyGVWPEXHVCLAHQC-UHFFFAOYSA-N
XLogP3.22
TPSA72.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.44
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-(6-methoxynaphthalen-2-yl)-3-phenylpropane-1,3-dione
CID 102495157
1-(4-methoxyphenyl)-2-(1-phenylethylamino)ethanone
CID 82104513
1-(4-methoxyphenyl)-2-methyl-5-phenylpentane-1,3,5-trione
CID 19847704
methyl (2S,3S)-2-(dibenzylamino)-3-(4-methoxyphenyl)-5-oxo-5-phenylpentanoate
CID 102288972
methyl 2-[(2,4-dimethoxyphenyl)methyl-(4-methoxybenzoyl)amino]-2-phenylacetate
CID 58997996
2-[2-hydroxypropyl(methyl)amino]-1-(4-methoxyphenyl)ethanone
CID 62332829
3-O-[2-(4-methoxyphenyl)-2-oxoethyl] 1-O-methyl 2-methylpropanedioate
CID 175383206
4-methoxy-N-phenyl-N-[(1S)-1-phenylethyl]benzamide
CID 162689980
2-[(4-methoxybenzoyl)-methylamino]-2-phenylacetic acid
CID 14644560
2-[[2-(4-methoxyphenyl)-2-oxoethyl]-(2-methylpropyl)amino]acetamide
CID 62035280
1-(4-tert-butylphenyl)-3-(4-methoxyphenyl)propane-1,3-dione;methane;1-phenyl-3-(4-propan-2-ylphenyl)propane-1,3-dione
CID 159705023
N-[cyano(phenyl)methyl]-N-[2-[[cyano(phenyl)methyl]-(4-methoxybenzoyl)amino]ethyl]-4-methoxybenzamide
CID 51351092

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(4-methoxybenzoyl)-phenacylamino]-3-methylbutanoate?
The IUPAC name of methyl 2-[(4-methoxybenzoyl)-phenacylamino]-3-methylbutanoate (CID 90966545) is methyl 2-[(4-methoxybenzoyl)-phenacylamino]-3-methylbutanoate.
What is the SMILES notation for methyl 2-[(4-methoxybenzoyl)-phenacylamino]-3-methylbutanoate?
The canonical SMILES for methyl 2-[(4-methoxybenzoyl)-phenacylamino]-3-methylbutanoate is COC(=O)C(C(C)C)N(CC(=O)c1ccccc1)C(=O)c1ccc(OC)cc1.
What is the InChIKey of methyl 2-[(4-methoxybenzoyl)-phenacylamino]-3-methylbutanoate?
The InChIKey is GVWPEXHVCLAHQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25NO5/c1-15(2)20(22(26)28-4)23(14-19(24)16-8-6-5-7-9-16)21(25)17-10-12-18(27-3)13-11-17/h5-13,15,20H,14H2,1-4H3.
What are the key properties of methyl 2-[(4-methoxybenzoyl)-phenacylamino]-3-methylbutanoate?
methyl 2-[(4-methoxybenzoyl)-phenacylamino]-3-methylbutanoate has a molecular weight of 383.44 g/mol, XLogP of 3.22, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(4-methoxybenzoyl)-phenacylamino]-3-methylbutanoate is sourced from PubChem (CID 90966545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).