ethyl 2-[cyclopropyl-[2-(methoxymethyl)benzoyl]amino]acetate

C16H21NO4 — CID 61410098

IUPACethyl 2-[cyclopropyl-[2-(methoxymethyl)benzoyl]amino]acetate
SMILESCCOC(=O)CN(C(=O)c1ccccc1COC)C1CC1
InChIInChI=1S/C16H21NO4/c1-3-21-15(18)10-17(13-8-9-13)16(19)14-7-5-4-6-12(14)11-20-2/h4-7,13H,3,8-11H2,1-2H3
InChIKeyITOLMPMMIRLEIA-UHFFFAOYSA-N
MW291.35 g/mol
LogP2.00
Rot. Bonds7

About ethyl 2-[cyclopropyl-[2-(methoxymethyl)benzoyl]amino]acetate

ethyl 2-[cyclopropyl-[2-(methoxymethyl)benzoyl]amino]acetate (PubChem CID 61410098) has the molecular formula C16H21NO4 and a molecular weight of 291.35 g/mol. Its IUPAC name is ethyl 2-[cyclopropyl-[2-(methoxymethyl)benzoyl]amino]acetate.

Molecular Properties

Compound Nameethyl 2-[cyclopropyl-[2-(methoxymethyl)benzoyl]amino]acetate
PubChem CID61410098
Molecular FormulaC16H21NO4
Molecular Weight291.35 g/mol
Exact Mass291.15
IUPAC Nameethyl 2-[cyclopropyl-[2-(methoxymethyl)benzoyl]amino]acetate
SMILESCCOC(=O)CN(C(=O)c1ccccc1COC)C1CC1
InChIInChI=1S/C16H21NO4/c1-3-21-15(18)10-17(13-8-9-13)16(19)14-7-5-4-6-12(14)11-20-2/h4-7,13H,3,8-11H2,1-2H3
InChIKeyITOLMPMMIRLEIA-UHFFFAOYSA-N
XLogP2.00
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 52.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclopropyl-N-(2-hydroxyethyl)-2-(methoxymethyl)benzamide
CID 43576629
ethyl 2-[(2-chloro-3-fluorobenzoyl)-cyclopropylamino]acetate
CID 79035812
ethyl 2-[(3-chloro-2-fluorobenzoyl)-cyclopropylamino]acetate
CID 80977006
ethyl 2-[[2-(2-aminophenyl)acetyl]-cyclopropylamino]acetate
CID 61114412
ethyl 2-[cyclopropyl-(2-methylfuran-3-carbonyl)amino]acetate
CID 54983961
ethyl 2-[1-benzothiophene-3-carbonyl(cyclopropyl)amino]acetate
CID 61410096
ethyl 2-[cyclopropyl-(2-hydroxy-4-methylbenzoyl)amino]acetate
CID 61410130
ethyl 2-[cyclopropyl-(2-fluoro-5-methylbenzoyl)amino]acetate
CID 62510142
ethyl 2-[(4-bromo-2-methoxybenzoyl)-cyclopropylamino]acetate
CID 78987795
ethyl 2-[(4-carbamoylbenzoyl)-cyclopropylamino]acetate
CID 47981242
ethyl 2-[cyclopropyl(furan-2-carbonyl)amino]acetate
CID 54983870
ethyl 2-[cyclopropyl(phenoxycarbonyl)amino]acetate
CID 54979510

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[cyclopropyl-[2-(methoxymethyl)benzoyl]amino]acetate?
The IUPAC name of ethyl 2-[cyclopropyl-[2-(methoxymethyl)benzoyl]amino]acetate (CID 61410098) is ethyl 2-[cyclopropyl-[2-(methoxymethyl)benzoyl]amino]acetate.
What is the SMILES notation for ethyl 2-[cyclopropyl-[2-(methoxymethyl)benzoyl]amino]acetate?
The canonical SMILES for ethyl 2-[cyclopropyl-[2-(methoxymethyl)benzoyl]amino]acetate is CCOC(=O)CN(C(=O)c1ccccc1COC)C1CC1.
What is the InChIKey of ethyl 2-[cyclopropyl-[2-(methoxymethyl)benzoyl]amino]acetate?
The InChIKey is ITOLMPMMIRLEIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO4/c1-3-21-15(18)10-17(13-8-9-13)16(19)14-7-5-4-6-12(14)11-20-2/h4-7,13H,3,8-11H2,1-2H3.
What are the key properties of ethyl 2-[cyclopropyl-[2-(methoxymethyl)benzoyl]amino]acetate?
ethyl 2-[cyclopropyl-[2-(methoxymethyl)benzoyl]amino]acetate has a molecular weight of 291.35 g/mol, XLogP of 2.00, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[cyclopropyl-[2-(methoxymethyl)benzoyl]amino]acetate is sourced from PubChem (CID 61410098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).