ethyl 3-[cyclopropyl-(2-methoxybenzoyl)amino]-2-methylpropanoate

C17H23NO4 — CID 84559096

IUPACethyl 3-[cyclopropyl-(2-methoxybenzoyl)amino]-2-methylpropanoate
SMILESCCOC(=O)C(C)CN(C(=O)c1ccccc1OC)C1CC1
InChIInChI=1S/C17H23NO4/c1-4-22-17(20)12(2)11-18(13-9-10-13)16(19)14-7-5-6-8-15(14)21-3/h5-8,12-13H,4,9-11H2,1-3H3
InChIKeyHPGWLGLBKIPFNY-UHFFFAOYSA-N
MW305.37 g/mol
LogP2.50
Rot. Bonds7

About ethyl 3-[cyclopropyl-(2-methoxybenzoyl)amino]-2-methylpropanoate

ethyl 3-[cyclopropyl-(2-methoxybenzoyl)amino]-2-methylpropanoate (PubChem CID 84559096) has the molecular formula C17H23NO4 and a molecular weight of 305.37 g/mol. Its IUPAC name is ethyl 3-[cyclopropyl-(2-methoxybenzoyl)amino]-2-methylpropanoate.

Molecular Properties

Compound Nameethyl 3-[cyclopropyl-(2-methoxybenzoyl)amino]-2-methylpropanoate
PubChem CID84559096
Molecular FormulaC17H23NO4
Molecular Weight305.37 g/mol
Exact Mass305.16
IUPAC Nameethyl 3-[cyclopropyl-(2-methoxybenzoyl)amino]-2-methylpropanoate
SMILESCCOC(=O)C(C)CN(C(=O)c1ccccc1OC)C1CC1
InChIInChI=1S/C17H23NO4/c1-4-22-17(20)12(2)11-18(13-9-10-13)16(19)14-7-5-6-8-15(14)21-3/h5-8,12-13H,4,9-11H2,1-3H3
InChIKeyHPGWLGLBKIPFNY-UHFFFAOYSA-N
XLogP2.50
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.37
LogP ≤ 52.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-3-[cyclopropyl-(2-methoxybenzoyl)amino]-2-methylpropanoic acid
CID 95540234
ethyl 3-[cyclopropyl-(4-methoxybenzoyl)amino]-2-methylpropanoate
CID 84559994
N-(azetidin-3-yl)-N-ethyl-2-methoxybenzamide
CID 66182739
ethyl 3-[cyclopropyl-[3-(3,4-dimethoxyphenyl)propanoyl]amino]-2-methylpropanoate
CID 84559233
3-[cyclopropyl-(2-methylsulfanylbenzoyl)amino]-2-methylpropanoic acid
CID 120977103
ethyl (2S)-3-(2-methoxyphenyl)-2-methyl-3-oxopropanoate
CID 97035566
N-(2-aminoethyl)-N-cyclopropyl-2-ethoxybenzamide
CID 61349951
2-[cyclopropyl(2-methylpropyl)amino]-1-(2-methoxyphenyl)ethanone
CID 55001836
N-cyclopropyl-2-methoxy-N-[2-(3,4,5-trimethoxyphenyl)ethyl]benzamide
CID 113095976
N-(2-amino-2-hydroxyiminoethyl)-N-cyclopentyl-2-methoxybenzamide
CID 77044490
N-cyclopropyl-2-methoxy-N-[(1-methylpyrrol-2-yl)methyl]benzamide
CID 42759797
2-amino-N-cyclopropyl-4,5-dimethoxy-N-(2-methylpropyl)benzamide
CID 61107611

Frequently Asked Questions

What is the IUPAC name of ethyl 3-[cyclopropyl-(2-methoxybenzoyl)amino]-2-methylpropanoate?
The IUPAC name of ethyl 3-[cyclopropyl-(2-methoxybenzoyl)amino]-2-methylpropanoate (CID 84559096) is ethyl 3-[cyclopropyl-(2-methoxybenzoyl)amino]-2-methylpropanoate.
What is the SMILES notation for ethyl 3-[cyclopropyl-(2-methoxybenzoyl)amino]-2-methylpropanoate?
The canonical SMILES for ethyl 3-[cyclopropyl-(2-methoxybenzoyl)amino]-2-methylpropanoate is CCOC(=O)C(C)CN(C(=O)c1ccccc1OC)C1CC1.
What is the InChIKey of ethyl 3-[cyclopropyl-(2-methoxybenzoyl)amino]-2-methylpropanoate?
The InChIKey is HPGWLGLBKIPFNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO4/c1-4-22-17(20)12(2)11-18(13-9-10-13)16(19)14-7-5-6-8-15(14)21-3/h5-8,12-13H,4,9-11H2,1-3H3.
What are the key properties of ethyl 3-[cyclopropyl-(2-methoxybenzoyl)amino]-2-methylpropanoate?
ethyl 3-[cyclopropyl-(2-methoxybenzoyl)amino]-2-methylpropanoate has a molecular weight of 305.37 g/mol, XLogP of 2.50, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-[cyclopropyl-(2-methoxybenzoyl)amino]-2-methylpropanoate is sourced from PubChem (CID 84559096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).