ethyl 2-[cyclopropyl(2,3-dihydro-1-benzofuran-2-ylmethyl)amino]acetate

C16H21NO3 — CID 63663084

IUPACethyl 2-[cyclopropyl(2,3-dihydro-1-benzofuran-2-ylmethyl)amino]acetate
SMILESCCOC(=O)CN(CC1Cc2ccccc2O1)C1CC1
InChIInChI=1S/C16H21NO3/c1-2-19-16(18)11-17(13-7-8-13)10-14-9-12-5-3-4-6-15(12)20-14/h3-6,13-14H,2,7-11H2,1H3
InChIKeyBXHQWXARCHAIFH-UHFFFAOYSA-N
MW275.35 g/mol
LogP2.02
Rot. Bonds6

About ethyl 2-[cyclopropyl(2,3-dihydro-1-benzofuran-2-ylmethyl)amino]acetate

ethyl 2-[cyclopropyl(2,3-dihydro-1-benzofuran-2-ylmethyl)amino]acetate (PubChem CID 63663084) has the molecular formula C16H21NO3 and a molecular weight of 275.35 g/mol. Its IUPAC name is ethyl 2-[cyclopropyl(2,3-dihydro-1-benzofuran-2-ylmethyl)amino]acetate.

Molecular Properties

Compound Nameethyl 2-[cyclopropyl(2,3-dihydro-1-benzofuran-2-ylmethyl)amino]acetate
PubChem CID63663084
Molecular FormulaC16H21NO3
Molecular Weight275.35 g/mol
Exact Mass275.15
IUPAC Nameethyl 2-[cyclopropyl(2,3-dihydro-1-benzofuran-2-ylmethyl)amino]acetate
SMILESCCOC(=O)CN(CC1Cc2ccccc2O1)C1CC1
InChIInChI=1S/C16H21NO3/c1-2-19-16(18)11-17(13-7-8-13)10-14-9-12-5-3-4-6-15(12)20-14/h3-6,13-14H,2,7-11H2,1H3
InChIKeyBXHQWXARCHAIFH-UHFFFAOYSA-N
XLogP2.02
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 52.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-4-N-propylcyclohexane-1,4-diamine
CID 79117519
2-chloro-N-cyclopropyl-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)acetamide
CID 146085900
ethyl 2-[methyl-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]amino]acetate
CID 66362775
2-[cyclopropyl-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]amino]acetic acid
CID 66360819
2-[cyclobutyl(2,3-dihydro-1-benzofuran-2-ylmethyl)amino]ethanol
CID 102676518
ethyl 3-(2,3-dihydro-1-benzofuran-2-yl)-2,2-difluoropropanoate
CID 132821328
ethyl 2-(2,3-dihydro-1-benzofuran-2-ylmethylamino)-2-oxoacetate
CID 62234991
ethyl 2-[cyclopropyl(2,3-dihydro-1-benzothiophen-3-ylmethyl)amino]acetate
CID 79221523
ethyl 2-[(5-chloro-2,3-dihydro-1-benzofuran-2-yl)methyl-methylamino]acetate
CID 66362773
ethyl 2-[cyclopropyl(1,3-dioxan-4-ylmethyl)amino]acetate
CID 62027799
N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-N-propylazetidin-3-amine
CID 66363424
ethyl 2-[benzyl(cycloheptyl)amino]acetate
CID 82925724

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[cyclopropyl(2,3-dihydro-1-benzofuran-2-ylmethyl)amino]acetate?
The IUPAC name of ethyl 2-[cyclopropyl(2,3-dihydro-1-benzofuran-2-ylmethyl)amino]acetate (CID 63663084) is ethyl 2-[cyclopropyl(2,3-dihydro-1-benzofuran-2-ylmethyl)amino]acetate.
What is the SMILES notation for ethyl 2-[cyclopropyl(2,3-dihydro-1-benzofuran-2-ylmethyl)amino]acetate?
The canonical SMILES for ethyl 2-[cyclopropyl(2,3-dihydro-1-benzofuran-2-ylmethyl)amino]acetate is CCOC(=O)CN(CC1Cc2ccccc2O1)C1CC1.
What is the InChIKey of ethyl 2-[cyclopropyl(2,3-dihydro-1-benzofuran-2-ylmethyl)amino]acetate?
The InChIKey is BXHQWXARCHAIFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO3/c1-2-19-16(18)11-17(13-7-8-13)10-14-9-12-5-3-4-6-15(12)20-14/h3-6,13-14H,2,7-11H2,1H3.
What are the key properties of ethyl 2-[cyclopropyl(2,3-dihydro-1-benzofuran-2-ylmethyl)amino]acetate?
ethyl 2-[cyclopropyl(2,3-dihydro-1-benzofuran-2-ylmethyl)amino]acetate has a molecular weight of 275.35 g/mol, XLogP of 2.02, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[cyclopropyl(2,3-dihydro-1-benzofuran-2-ylmethyl)amino]acetate is sourced from PubChem (CID 63663084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).