N-ethyl-N-(pyrrolidin-2-ylmethyl)-3,4-dihydro-1H-isochromene-1-carboxamide

C17H24N2O2 — CID 106609122

IUPACN-ethyl-N-(pyrrolidin-2-ylmethyl)-3,4-dihydro-1H-isochromene-1-carboxamide
SMILESCCN(CC1CCCN1)C(=O)C1OCCc2ccccc21
InChIInChI=1S/C17H24N2O2/c1-2-19(12-14-7-5-10-18-14)17(20)16-15-8-4-3-6-13(15)9-11-21-16/h3-4,6,8,14,16,18H,2,5,7,9-12H2,1H3
InChIKeyATKNRGIKAUHDGG-UHFFFAOYSA-N
MW288.39 g/mol
LogP1.90
Rot. Bonds4

About N-ethyl-N-(pyrrolidin-2-ylmethyl)-3,4-dihydro-1H-isochromene-1-carboxamide

N-ethyl-N-(pyrrolidin-2-ylmethyl)-3,4-dihydro-1H-isochromene-1-carboxamide (PubChem CID 106609122) has the molecular formula C17H24N2O2 and a molecular weight of 288.39 g/mol. Its IUPAC name is N-ethyl-N-(pyrrolidin-2-ylmethyl)-3,4-dihydro-1H-isochromene-1-carboxamide.

Molecular Properties

Compound NameN-ethyl-N-(pyrrolidin-2-ylmethyl)-3,4-dihydro-1H-isochromene-1-carboxamide
PubChem CID106609122
Molecular FormulaC17H24N2O2
Molecular Weight288.39 g/mol
Exact Mass288.18
IUPAC NameN-ethyl-N-(pyrrolidin-2-ylmethyl)-3,4-dihydro-1H-isochromene-1-carboxamide
SMILESCCN(CC1CCCN1)C(=O)C1OCCc2ccccc21
InChIInChI=1S/C17H24N2O2/c1-2-19(12-14-7-5-10-18-14)17(20)16-15-8-4-3-6-13(15)9-11-21-16/h3-4,6,8,14,16,18H,2,5,7,9-12H2,1H3
InChIKeyATKNRGIKAUHDGG-UHFFFAOYSA-N
XLogP1.90
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(pyrrolidin-2-ylmethyl)-3,4-dihydro-1H-isochromene-1-carboxamide
CID 55084255
N-ethyl-N-(pyrrolidin-2-ylmethyl)-2,3-dihydro-1-benzofuran-2-carboxamide
CID 106609150
3-[3,4-dihydro-1H-isochromene-1-carbonyl(ethyl)amino]-2-methylpropanoic acid
CID 62827746
N-ethyl-N-(piperidin-2-ylmethyl)-2,3-dihydro-1-benzofuran-3-carboxamide
CID 106626211
N-propyl-N-(pyrrolidin-2-ylmethyl)bicyclo[4.2.0]octa-1,3,5-triene-7-carboxamide
CID 106610262
N-(2-methylpiperidin-3-yl)-3,4-dihydro-1H-isochromene-1-carboxamide
CID 114695004
(2S)-N-ethyl-N-(piperidin-2-ylmethyl)oxolane-2-carboxamide
CID 106625979
benzyl N-ethyl-N-[[(2R)-pyrrolidin-2-yl]methyl]carbamate
CID 96555664
benzyl N-ethyl-N-[[(2S)-pyrrolidin-2-yl]methyl]carbamate
CID 66569368
N-ethyl-2-phenyl-N-(piperidin-2-ylmethyl)cyclopropane-1-carboxamide
CID 106625905
1-(3,4-dihydro-1H-isochromen-1-yl)pentan-1-one
CID 105086674
4-chloro-N-ethyl-N-(pyrrolidin-2-ylmethyl)benzamide
CID 106609166

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-(pyrrolidin-2-ylmethyl)-3,4-dihydro-1H-isochromene-1-carboxamide?
The IUPAC name of N-ethyl-N-(pyrrolidin-2-ylmethyl)-3,4-dihydro-1H-isochromene-1-carboxamide (CID 106609122) is N-ethyl-N-(pyrrolidin-2-ylmethyl)-3,4-dihydro-1H-isochromene-1-carboxamide.
What is the SMILES notation for N-ethyl-N-(pyrrolidin-2-ylmethyl)-3,4-dihydro-1H-isochromene-1-carboxamide?
The canonical SMILES for N-ethyl-N-(pyrrolidin-2-ylmethyl)-3,4-dihydro-1H-isochromene-1-carboxamide is CCN(CC1CCCN1)C(=O)C1OCCc2ccccc21.
What is the InChIKey of N-ethyl-N-(pyrrolidin-2-ylmethyl)-3,4-dihydro-1H-isochromene-1-carboxamide?
The InChIKey is ATKNRGIKAUHDGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O2/c1-2-19(12-14-7-5-10-18-14)17(20)16-15-8-4-3-6-13(15)9-11-21-16/h3-4,6,8,14,16,18H,2,5,7,9-12H2,1H3.
What are the key properties of N-ethyl-N-(pyrrolidin-2-ylmethyl)-3,4-dihydro-1H-isochromene-1-carboxamide?
N-ethyl-N-(pyrrolidin-2-ylmethyl)-3,4-dihydro-1H-isochromene-1-carboxamide has a molecular weight of 288.39 g/mol, XLogP of 1.90, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-(pyrrolidin-2-ylmethyl)-3,4-dihydro-1H-isochromene-1-carboxamide is sourced from PubChem (CID 106609122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).