ethyl 3-[cyclopropyl-(4-methoxybenzoyl)amino]-2-methylpropanoate

C17H23NO4 — CID 84559994

IUPACethyl 3-[cyclopropyl-(4-methoxybenzoyl)amino]-2-methylpropanoate
SMILESCCOC(=O)C(C)CN(C(=O)c1ccc(OC)cc1)C1CC1
InChIInChI=1S/C17H23NO4/c1-4-22-17(20)12(2)11-18(14-7-8-14)16(19)13-5-9-15(21-3)10-6-13/h5-6,9-10,12,14H,4,7-8,11H2,1-3H3
InChIKeyFRPWPXMNLBVTEN-UHFFFAOYSA-N
MW305.37 g/mol
LogP2.50
Rot. Bonds7

About ethyl 3-[cyclopropyl-(4-methoxybenzoyl)amino]-2-methylpropanoate

ethyl 3-[cyclopropyl-(4-methoxybenzoyl)amino]-2-methylpropanoate (PubChem CID 84559994) has the molecular formula C17H23NO4 and a molecular weight of 305.37 g/mol. Its IUPAC name is ethyl 3-[cyclopropyl-(4-methoxybenzoyl)amino]-2-methylpropanoate.

Molecular Properties

Compound Nameethyl 3-[cyclopropyl-(4-methoxybenzoyl)amino]-2-methylpropanoate
PubChem CID84559994
Molecular FormulaC17H23NO4
Molecular Weight305.37 g/mol
Exact Mass305.16
IUPAC Nameethyl 3-[cyclopropyl-(4-methoxybenzoyl)amino]-2-methylpropanoate
SMILESCCOC(=O)C(C)CN(C(=O)c1ccc(OC)cc1)C1CC1
InChIInChI=1S/C17H23NO4/c1-4-22-17(20)12(2)11-18(14-7-8-14)16(19)13-5-9-15(21-3)10-6-13/h5-6,9-10,12,14H,4,7-8,11H2,1-3H3
InChIKeyFRPWPXMNLBVTEN-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

ethyl 3-[cyclopropyl-(2-methoxybenzoyl)amino]-2-methylpropanoate
CID 84559096
N-(4-aminocyclohexyl)-N-ethyl-4-methoxybenzamide
CID 79115419
N-(3-aminopropyl)-N-cyclopropyl-4-methoxybenzamide
CID 43136784
ethyl 3-[[4-(4-chlorophenyl)-4-oxobutanoyl]-cyclopropylamino]-2-methylpropanoate
CID 84558739
4-(aminomethyl)-N-cyclopropyl-N-[(4-methoxyphenyl)methyl]benzamide
CID 119272533
3-[cyclopropyl-[4-(diethylcarbamoyl)benzoyl]amino]-2-methylpropanoic acid
CID 120689451
(2R)-3-[cyclopropyl-(4-fluorobenzoyl)amino]-2-methylpropanoic acid
CID 95540195
ethyl 3-[cyclopropyl-[3-(3,4-dimethoxyphenyl)propanoyl]amino]-2-methylpropanoate
CID 84559233
diethyl 2-methylpropanedioate;1,4-dimethoxybenzene
CID 174542706
ethyl (2R)-3-(4-methoxyphenyl)-2-methyl-3-oxopropanoate
CID 97035569
4-chloro-N-cyclopropyl-N-[(4-methoxyphenyl)methyl]benzamide
CID 78811592
N-cyclopropyl-4-methoxy-N-(piperidin-4-ylmethyl)benzamide
CID 79702133

Frequently Asked Questions

What is the IUPAC name of ethyl 3-[cyclopropyl-(4-methoxybenzoyl)amino]-2-methylpropanoate?
The IUPAC name of ethyl 3-[cyclopropyl-(4-methoxybenzoyl)amino]-2-methylpropanoate (CID 84559994) is ethyl 3-[cyclopropyl-(4-methoxybenzoyl)amino]-2-methylpropanoate.
What is the SMILES notation for ethyl 3-[cyclopropyl-(4-methoxybenzoyl)amino]-2-methylpropanoate?
The canonical SMILES for ethyl 3-[cyclopropyl-(4-methoxybenzoyl)amino]-2-methylpropanoate is CCOC(=O)C(C)CN(C(=O)c1ccc(OC)cc1)C1CC1.
What is the InChIKey of ethyl 3-[cyclopropyl-(4-methoxybenzoyl)amino]-2-methylpropanoate?
The InChIKey is FRPWPXMNLBVTEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO4/c1-4-22-17(20)12(2)11-18(14-7-8-14)16(19)13-5-9-15(21-3)10-6-13/h5-6,9-10,12,14H,4,7-8,11H2,1-3H3.
What are the key properties of ethyl 3-[cyclopropyl-(4-methoxybenzoyl)amino]-2-methylpropanoate?
ethyl 3-[cyclopropyl-(4-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-(4-methoxybenzoyl)amino]-2-methylpropanoate is sourced from PubChem (CID 84559994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).