N-(2-amino-1-cyclopropylethyl)-N-methyl-3,4-dihydro-1H-isochromene-1-carboxamide

C16H22N2O2 — CID 116651619

IUPACN-(2-amino-1-cyclopropylethyl)-N-methyl-3,4-dihydro-1H-isochromene-1-carboxamide
SMILESCN(C(=O)C1OCCc2ccccc21)C(CN)C1CC1
InChIInChI=1S/C16H22N2O2/c1-18(14(10-17)12-6-7-12)16(19)15-13-5-3-2-4-11(13)8-9-20-15/h2-5,12,14-15H,6-10,17H2,1H3
InChIKeyRVDMZENOUPSMRY-UHFFFAOYSA-N
MW274.36 g/mol
LogP1.50
Rot. Bonds4

About N-(2-amino-1-cyclopropylethyl)-N-methyl-3,4-dihydro-1H-isochromene-1-carboxamide

N-(2-amino-1-cyclopropylethyl)-N-methyl-3,4-dihydro-1H-isochromene-1-carboxamide (PubChem CID 116651619) has the molecular formula C16H22N2O2 and a molecular weight of 274.36 g/mol. Its IUPAC name is N-(2-amino-1-cyclopropylethyl)-N-methyl-3,4-dihydro-1H-isochromene-1-carboxamide.

Molecular Properties

Compound NameN-(2-amino-1-cyclopropylethyl)-N-methyl-3,4-dihydro-1H-isochromene-1-carboxamide
PubChem CID116651619
Molecular FormulaC16H22N2O2
Molecular Weight274.36 g/mol
Exact Mass274.17
IUPAC NameN-(2-amino-1-cyclopropylethyl)-N-methyl-3,4-dihydro-1H-isochromene-1-carboxamide
SMILESCN(C(=O)C1OCCc2ccccc21)C(CN)C1CC1
InChIInChI=1S/C16H22N2O2/c1-18(14(10-17)12-6-7-12)16(19)15-13-5-3-2-4-11(13)8-9-20-15/h2-5,12,14-15H,6-10,17H2,1H3
InChIKeyRVDMZENOUPSMRY-UHFFFAOYSA-N
XLogP1.50
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.36
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-amino-1-cyclopropylethyl)-3,4-dihydro-1H-isochromene-1-carboxamide
CID 65189160
N-(3-amino-4-methylpentyl)-N-methyl-3,4-dihydro-1H-isochromene-1-carboxamide;hydrochloride
CID 119995087
N-(1-aminopropan-2-yl)-3,4-dihydro-1H-isochromene-1-carboxamide
CID 63733825
N-[(4-chlorophenyl)methyl]-N-methyl-3,4-dihydro-1H-isochromene-1-carboxamide
CID 126788961
N-methyl-N-(1,2-oxazol-3-yl)-3,4-dihydro-1H-isochromene-1-carboxamide
CID 166252419
2-[butan-2-yl(3,4-dihydro-1H-isochromene-1-carbonyl)amino]acetic acid
CID 60984955
N-(1-aminopropan-2-yl)-2-(3,4-dihydro-1H-isochromen-1-yl)-N-methylacetamide
CID 119584702
ethyl 3,4-dihydro-1H-isochromene-1-carboxylate
CID 12511862
N-(5-methoxypyrimidin-2-yl)-N-methyl-3,4-dihydro-1H-isochromene-1-carboxamide
CID 132970815
3-[3,4-dihydro-1H-isochromene-1-carbonyl(ethyl)amino]-2-methylpropanoic acid
CID 62827746
4-[[[(1S)-3,4-dihydro-1H-isochromene-1-carbonyl]-methylamino]methyl]benzoic acid
CID 124684427
N-(2-aminoethyl)-N-(2-phenylethyl)-3,4-dihydro-1H-isochromene-1-carboxamide
CID 120884804

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-1-cyclopropylethyl)-N-methyl-3,4-dihydro-1H-isochromene-1-carboxamide?
The IUPAC name of N-(2-amino-1-cyclopropylethyl)-N-methyl-3,4-dihydro-1H-isochromene-1-carboxamide (CID 116651619) is N-(2-amino-1-cyclopropylethyl)-N-methyl-3,4-dihydro-1H-isochromene-1-carboxamide.
What is the SMILES notation for N-(2-amino-1-cyclopropylethyl)-N-methyl-3,4-dihydro-1H-isochromene-1-carboxamide?
The canonical SMILES for N-(2-amino-1-cyclopropylethyl)-N-methyl-3,4-dihydro-1H-isochromene-1-carboxamide is CN(C(=O)C1OCCc2ccccc21)C(CN)C1CC1.
What is the InChIKey of N-(2-amino-1-cyclopropylethyl)-N-methyl-3,4-dihydro-1H-isochromene-1-carboxamide?
The InChIKey is RVDMZENOUPSMRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O2/c1-18(14(10-17)12-6-7-12)16(19)15-13-5-3-2-4-11(13)8-9-20-15/h2-5,12,14-15H,6-10,17H2,1H3.
What are the key properties of N-(2-amino-1-cyclopropylethyl)-N-methyl-3,4-dihydro-1H-isochromene-1-carboxamide?
N-(2-amino-1-cyclopropylethyl)-N-methyl-3,4-dihydro-1H-isochromene-1-carboxamide has a molecular weight of 274.36 g/mol, XLogP of 1.50, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-1-cyclopropylethyl)-N-methyl-3,4-dihydro-1H-isochromene-1-carboxamide is sourced from PubChem (CID 116651619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).