2-[cyclopropyl(cyclopropylmethyl)amino]-1-(2,3-dihydro-1-benzofuran-5-yl)ethanone

C17H21NO2 — CID 64521389

IUPAC2-[cyclopropyl(cyclopropylmethyl)amino]-1-(2,3-dihydro-1-benzofuran-5-yl)ethanone
SMILESO=C(CN(CC1CC1)C1CC1)c1ccc2c(c1)CCO2
InChIInChI=1S/C17H21NO2/c19-16(11-18(15-4-5-15)10-12-1-2-12)13-3-6-17-14(9-13)7-8-20-17/h3,6,9,12,15H,1-2,4-5,7-8,10-11H2
InChIKeyYWKFUGUMRRXDCL-UHFFFAOYSA-N
MW271.36 g/mol
LogP2.68
Rot. Bonds6

About 2-[cyclopropyl(cyclopropylmethyl)amino]-1-(2,3-dihydro-1-benzofuran-5-yl)ethanone

2-[cyclopropyl(cyclopropylmethyl)amino]-1-(2,3-dihydro-1-benzofuran-5-yl)ethanone (PubChem CID 64521389) has the molecular formula C17H21NO2 and a molecular weight of 271.36 g/mol. Its IUPAC name is 2-[cyclopropyl(cyclopropylmethyl)amino]-1-(2,3-dihydro-1-benzofuran-5-yl)ethanone.

Molecular Properties

Compound Name2-[cyclopropyl(cyclopropylmethyl)amino]-1-(2,3-dihydro-1-benzofuran-5-yl)ethanone
PubChem CID64521389
Molecular FormulaC17H21NO2
Molecular Weight271.36 g/mol
Exact Mass271.16
IUPAC Name2-[cyclopropyl(cyclopropylmethyl)amino]-1-(2,3-dihydro-1-benzofuran-5-yl)ethanone
SMILESO=C(CN(CC1CC1)C1CC1)c1ccc2c(c1)CCO2
InChIInChI=1S/C17H21NO2/c19-16(11-18(15-4-5-15)10-12-1-2-12)13-3-6-17-14(9-13)7-8-20-17/h3,6,9,12,15H,1-2,4-5,7-8,10-11H2
InChIKeyYWKFUGUMRRXDCL-UHFFFAOYSA-N
XLogP2.68
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[cyclopropyl(cyclopropylmethyl)amino]-1-(2,3-dihydro-1H-inden-5-yl)ethanone
CID 64522384
3-(2,3-dihydro-1-benzofuran-5-yl)-3-oxopropanal
CID 116821577
2,3-dihydro-1-benzofuran-5-carboxylic acid
CID 676583
2-(3-aminopyrrolidin-1-yl)-1-(2,3-dihydro-1-benzofuran-5-yl)ethanone
CID 63068559
methyl 3-(2,3-dihydro-1-benzofuran-5-yl)-3-oxopropanoate
CID 70925454
N-[(4-hydroxycyclohexyl)methyl]-2,3-dihydro-1-benzofuran-5-carboxamide
CID 106124041
1-(2,3-dihydro-1-benzofuran-5-yl)-4-methylpentan-1-one
CID 43160511
1-(2,3-dihydro-1-benzofuran-5-yl)-2-(3,4-dimethylpyrrolidin-1-yl)ethanone
CID 79188551
N-ethyl-N-(piperidin-4-ylmethyl)-2,3-dihydro-1-benzofuran-5-carboxamide
CID 79698342
2-[[2-(2,3-dihydro-1-benzofuran-5-yl)-2-oxoethyl]-methylamino]-N-propylacetamide
CID 61453131
2-(4-cyclopropylpiperazin-1-yl)-1-(2,3-dihydro-1-benzofuran-5-yl)ethanone
CID 61440412
2-chloro-1-(2,3,4,5-tetrahydro-1-benzoxepin-7-yl)ethanone
CID 82242395

Frequently Asked Questions

What is the IUPAC name of 2-[cyclopropyl(cyclopropylmethyl)amino]-1-(2,3-dihydro-1-benzofuran-5-yl)ethanone?
The IUPAC name of 2-[cyclopropyl(cyclopropylmethyl)amino]-1-(2,3-dihydro-1-benzofuran-5-yl)ethanone (CID 64521389) is 2-[cyclopropyl(cyclopropylmethyl)amino]-1-(2,3-dihydro-1-benzofuran-5-yl)ethanone.
What is the SMILES notation for 2-[cyclopropyl(cyclopropylmethyl)amino]-1-(2,3-dihydro-1-benzofuran-5-yl)ethanone?
The canonical SMILES for 2-[cyclopropyl(cyclopropylmethyl)amino]-1-(2,3-dihydro-1-benzofuran-5-yl)ethanone is O=C(CN(CC1CC1)C1CC1)c1ccc2c(c1)CCO2.
What is the InChIKey of 2-[cyclopropyl(cyclopropylmethyl)amino]-1-(2,3-dihydro-1-benzofuran-5-yl)ethanone?
The InChIKey is YWKFUGUMRRXDCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO2/c19-16(11-18(15-4-5-15)10-12-1-2-12)13-3-6-17-14(9-13)7-8-20-17/h3,6,9,12,15H,1-2,4-5,7-8,10-11H2.
What are the key properties of 2-[cyclopropyl(cyclopropylmethyl)amino]-1-(2,3-dihydro-1-benzofuran-5-yl)ethanone?
2-[cyclopropyl(cyclopropylmethyl)amino]-1-(2,3-dihydro-1-benzofuran-5-yl)ethanone has a molecular weight of 271.36 g/mol, XLogP of 2.68, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopropyl(cyclopropylmethyl)amino]-1-(2,3-dihydro-1-benzofuran-5-yl)ethanone is sourced from PubChem (CID 64521389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).