[1-(4-ethoxyphenyl)-1-oxopropan-2-yl] 2-benzamidopropanoate

C21H23NO5 — CID 42898251

IUPAC[1-(4-ethoxyphenyl)-1-oxopropan-2-yl] 2-benzamidopropanoate
SMILESCCOc1ccc(C(=O)C(C)OC(=O)C(C)NC(=O)c2ccccc2)cc1
InChIInChI=1S/C21H23NO5/c1-4-26-18-12-10-16(11-13-18)19(23)15(3)27-21(25)14(2)22-20(24)17-8-6-5-7-9-17/h5-15H,4H2,1-3H3,(H,22,24)
InChIKeyNFFUCECZQSSLAK-UHFFFAOYSA-N
MW369.42 g/mol
LogP3.02
Rot. Bonds8

About [1-(4-ethoxyphenyl)-1-oxopropan-2-yl] 2-benzamidopropanoate

[1-(4-ethoxyphenyl)-1-oxopropan-2-yl] 2-benzamidopropanoate (PubChem CID 42898251) has the molecular formula C21H23NO5 and a molecular weight of 369.42 g/mol. Its IUPAC name is [1-(4-ethoxyphenyl)-1-oxopropan-2-yl] 2-benzamidopropanoate.

Molecular Properties

Compound Name[1-(4-ethoxyphenyl)-1-oxopropan-2-yl] 2-benzamidopropanoate
PubChem CID42898251
Molecular FormulaC21H23NO5
Molecular Weight369.42 g/mol
Exact Mass369.16
IUPAC Name[1-(4-ethoxyphenyl)-1-oxopropan-2-yl] 2-benzamidopropanoate
SMILESCCOc1ccc(C(=O)C(C)OC(=O)C(C)NC(=O)c2ccccc2)cc1
InChIInChI=1S/C21H23NO5/c1-4-26-18-12-10-16(11-13-18)19(23)15(3)27-21(25)14(2)22-20(24)17-8-6-5-7-9-17/h5-15H,4H2,1-3H3,(H,22,24)
InChIKeyNFFUCECZQSSLAK-UHFFFAOYSA-N
XLogP3.02
TPSA81.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.42
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[(2R)-1-(4-ethoxyphenyl)-1-oxopropan-2-yl] 4-benzoylbenzoate
CID 2606590
N-[1-[4-(4-ethoxyphenoxy)anilino]-1-oxopropan-2-yl]benzamide
CID 24636992
(1-oxo-1-phenylpropan-2-yl) 3-(4-ethoxyphenoxy)propanoate
CID 55317467
(2R)-2-[(4-ethoxybenzoyl)amino]-3-phenylpropanoate
CID 6947599
N-[(2R)-butan-2-yl]-4-ethoxybenzamide
CID 721844
ethyl 2-[[4-(2-methylpropoxy)benzoyl]amino]propanoate
CID 61343512
[(2S)-1-(4-ethoxyphenyl)-1-oxopropan-2-yl] 4-phenylmethoxybenzoate
CID 7222135
butyl (2S)-2-benzamidopropanoate
CID 14654754
butyl 2-benzamidopropanoate
CID 14654753
[(2R)-1-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-1-oxopropan-2-yl] (2S)-2-benzamidopropanoate
CID 8840715
methyl (2S)-2-benzamidopropanoate
CID 6364617
propyl 2-benzamidopropanoate
CID 71628004

Frequently Asked Questions

What is the IUPAC name of [1-(4-ethoxyphenyl)-1-oxopropan-2-yl] 2-benzamidopropanoate?
The IUPAC name of [1-(4-ethoxyphenyl)-1-oxopropan-2-yl] 2-benzamidopropanoate (CID 42898251) is [1-(4-ethoxyphenyl)-1-oxopropan-2-yl] 2-benzamidopropanoate.
What is the SMILES notation for [1-(4-ethoxyphenyl)-1-oxopropan-2-yl] 2-benzamidopropanoate?
The canonical SMILES for [1-(4-ethoxyphenyl)-1-oxopropan-2-yl] 2-benzamidopropanoate is CCOc1ccc(C(=O)C(C)OC(=O)C(C)NC(=O)c2ccccc2)cc1.
What is the InChIKey of [1-(4-ethoxyphenyl)-1-oxopropan-2-yl] 2-benzamidopropanoate?
The InChIKey is NFFUCECZQSSLAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23NO5/c1-4-26-18-12-10-16(11-13-18)19(23)15(3)27-21(25)14(2)22-20(24)17-8-6-5-7-9-17/h5-15H,4H2,1-3H3,(H,22,24).
What are the key properties of [1-(4-ethoxyphenyl)-1-oxopropan-2-yl] 2-benzamidopropanoate?
[1-(4-ethoxyphenyl)-1-oxopropan-2-yl] 2-benzamidopropanoate has a molecular weight of 369.42 g/mol, XLogP of 3.02, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-ethoxyphenyl)-1-oxopropan-2-yl] 2-benzamidopropanoate is sourced from PubChem (CID 42898251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).