3-[1-[(4-ethylbenzoyl)amino]-2-methoxy-2-oxoethyl]cyclobutane-1-carboxylic acid

C17H21NO5 — CID 167989234

IUPAC3-[1-[(4-ethylbenzoyl)amino]-2-methoxy-2-oxoethyl]cyclobutane-1-carboxylic acid
SMILESCCc1ccc(C(=O)NC(C(=O)OC)C2CC(C(=O)O)C2)cc1
InChIInChI=1S/C17H21NO5/c1-3-10-4-6-11(7-5-10)15(19)18-14(17(22)23-2)12-8-13(9-12)16(20)21/h4-7,12-14H,3,8-9H2,1-2H3,(H,18,19)(H,20,21)
InChIKeyJLTBNLUVDVYWDM-UHFFFAOYSA-N
MW319.36 g/mol
LogP1.63
Rot. Bonds6

About 3-[1-[(4-ethylbenzoyl)amino]-2-methoxy-2-oxoethyl]cyclobutane-1-carboxylic acid

3-[1-[(4-ethylbenzoyl)amino]-2-methoxy-2-oxoethyl]cyclobutane-1-carboxylic acid (PubChem CID 167989234) has the molecular formula C17H21NO5 and a molecular weight of 319.36 g/mol. Its IUPAC name is 3-[1-[(4-ethylbenzoyl)amino]-2-methoxy-2-oxoethyl]cyclobutane-1-carboxylic acid.

Molecular Properties

Compound Name3-[1-[(4-ethylbenzoyl)amino]-2-methoxy-2-oxoethyl]cyclobutane-1-carboxylic acid
PubChem CID167989234
Molecular FormulaC17H21NO5
Molecular Weight319.36 g/mol
Exact Mass319.14
IUPAC Name3-[1-[(4-ethylbenzoyl)amino]-2-methoxy-2-oxoethyl]cyclobutane-1-carboxylic acid
SMILESCCc1ccc(C(=O)NC(C(=O)OC)C2CC(C(=O)O)C2)cc1
InChIInChI=1S/C17H21NO5/c1-3-10-4-6-11(7-5-10)15(19)18-14(17(22)23-2)12-8-13(9-12)16(20)21/h4-7,12-14H,3,8-9H2,1-2H3,(H,18,19)(H,20,21)
InChIKeyJLTBNLUVDVYWDM-UHFFFAOYSA-N
XLogP1.63
TPSA92.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.36
LogP ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

methyl (2S)-3-amino-2-[(4-ethylbenzoyl)amino]propanoate
CID 10586770
methyl (2S)-3-amino-2-[[4-(4-ethylphenyl)benzoyl]amino]butanoate
CID 59829940
3-[(4-ethylbenzoyl)amino]cyclohexane-1-carboxylic acid
CID 63043093
N-(1-amino-1-oxopropan-2-yl)-4-ethylbenzamide
CID 134045614
2-[(4-ethylbenzoyl)amino]-5-methoxypentanoic acid
CID 81077077
(2S)-2-[(4-ethylbenzoyl)amino]-4-methylpentanoic acid
CID 971688
methyl 2-[(4-chlorobenzoyl)amino]-2-(3-hydroxy-6-bicyclo[3.1.0]hexanyl)acetate
CID 153288965
N-(1-amino-3-phenylpropan-2-yl)-4-ethylbenzamide
CID 63754694
methyl 2-chloro-3-(4-ethylphenyl)propanoate
CID 79021615
4-ethyl-N-(4-hydroxypentan-2-yl)benzamide
CID 113376576
4-(4-ethylphenyl)-3-(2-methoxyethylamino)-4-oxobutanoic acid
CID 82322357
4-ethyl-N-[(1S)-2-hydroxy-1-phenylethyl]benzamide
CID 103945042

Frequently Asked Questions

What is the IUPAC name of 3-[1-[(4-ethylbenzoyl)amino]-2-methoxy-2-oxoethyl]cyclobutane-1-carboxylic acid?
The IUPAC name of 3-[1-[(4-ethylbenzoyl)amino]-2-methoxy-2-oxoethyl]cyclobutane-1-carboxylic acid (CID 167989234) is 3-[1-[(4-ethylbenzoyl)amino]-2-methoxy-2-oxoethyl]cyclobutane-1-carboxylic acid.
What is the SMILES notation for 3-[1-[(4-ethylbenzoyl)amino]-2-methoxy-2-oxoethyl]cyclobutane-1-carboxylic acid?
The canonical SMILES for 3-[1-[(4-ethylbenzoyl)amino]-2-methoxy-2-oxoethyl]cyclobutane-1-carboxylic acid is CCc1ccc(C(=O)NC(C(=O)OC)C2CC(C(=O)O)C2)cc1.
What is the InChIKey of 3-[1-[(4-ethylbenzoyl)amino]-2-methoxy-2-oxoethyl]cyclobutane-1-carboxylic acid?
The InChIKey is JLTBNLUVDVYWDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO5/c1-3-10-4-6-11(7-5-10)15(19)18-14(17(22)23-2)12-8-13(9-12)16(20)21/h4-7,12-14H,3,8-9H2,1-2H3,(H,18,19)(H,20,21).
What are the key properties of 3-[1-[(4-ethylbenzoyl)amino]-2-methoxy-2-oxoethyl]cyclobutane-1-carboxylic acid?
3-[1-[(4-ethylbenzoyl)amino]-2-methoxy-2-oxoethyl]cyclobutane-1-carboxylic acid has a molecular weight of 319.36 g/mol, XLogP of 1.63, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[(4-ethylbenzoyl)amino]-2-methoxy-2-oxoethyl]cyclobutane-1-carboxylic acid is sourced from PubChem (CID 167989234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).