N-(3-amino-4-methylpentyl)-N-methyl-3,4-dihydro-1H-isochromene-1-carboxamide;hydrochloride

C17H27ClN2O2 — CID 119995087

IUPACN-(3-amino-4-methylpentyl)-N-methyl-3,4-dihydro-1H-isochromene-1-carboxamide;hydrochloride
SMILESCC(C)C(N)CCN(C)C(=O)C1OCCc2ccccc21.Cl
InChIInChI=1S/C17H26N2O2.ClH/c1-12(2)15(18)8-10-19(3)17(20)16-14-7-5-4-6-13(14)9-11-21-16;/h4-7,12,15-16H,8-11,18H2,1-3H3;1H
InChIKeyQFOREJAROVLVES-UHFFFAOYSA-N
MW326.87 g/mol
LogP2.55
Rot. Bonds5

About N-(3-amino-4-methylpentyl)-N-methyl-3,4-dihydro-1H-isochromene-1-carboxamide;hydrochloride

N-(3-amino-4-methylpentyl)-N-methyl-3,4-dihydro-1H-isochromene-1-carboxamide;hydrochloride (PubChem CID 119995087) has the molecular formula C17H27ClN2O2 and a molecular weight of 326.87 g/mol. Its IUPAC name is N-(3-amino-4-methylpentyl)-N-methyl-3,4-dihydro-1H-isochromene-1-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-(3-amino-4-methylpentyl)-N-methyl-3,4-dihydro-1H-isochromene-1-carboxamide;hydrochloride
PubChem CID119995087
Molecular FormulaC17H27ClN2O2
Molecular Weight326.87 g/mol
Exact Mass326.18
IUPAC NameN-(3-amino-4-methylpentyl)-N-methyl-3,4-dihydro-1H-isochromene-1-carboxamide;hydrochloride
SMILESCC(C)C(N)CCN(C)C(=O)C1OCCc2ccccc21.Cl
InChIInChI=1S/C17H26N2O2.ClH/c1-12(2)15(18)8-10-19(3)17(20)16-14-7-5-4-6-13(14)9-11-21-16;/h4-7,12,15-16H,8-11,18H2,1-3H3;1H
InChIKeyQFOREJAROVLVES-UHFFFAOYSA-N
XLogP2.55
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.87
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-amino-4-methylpentyl)-N-methyl-3,4-dihydro-2H-chromene-4-carboxamide
CID 81485803
N-(2-amino-1-cyclopropylethyl)-N-methyl-3,4-dihydro-1H-isochromene-1-carboxamide
CID 116651619
N-[(4-chlorophenyl)methyl]-N-methyl-3,4-dihydro-1H-isochromene-1-carboxamide
CID 126788961
N-(3-amino-4-methylpentyl)-N-methyl-3,4-dihydro-2H-chromene-3-carboxamide
CID 81487197
4-[[[(1S)-3,4-dihydro-1H-isochromene-1-carbonyl]-methylamino]methyl]benzoic acid
CID 124684427
N-(3-amino-4-methylpentyl)-N-methyl-2-naphthalen-1-ylcyclopropane-1-carboxamide;hydrochloride
CID 119661456
2-[butan-2-yl(3,4-dihydro-1H-isochromene-1-carbonyl)amino]acetic acid
CID 60984955
N-(3-amino-4-methylpentyl)-N-methyl-4-phenylcyclohexane-1-carboxamide;hydrochloride
CID 119659328
3-[3,4-dihydro-1H-isochromene-1-carbonyl(ethyl)amino]-2-methylpropanoic acid
CID 62827746
N-(1-aminopropan-2-yl)-3,4-dihydro-1H-isochromene-1-carboxamide
CID 63733825
ethyl 3,4-dihydro-1H-isochromene-1-carboxylate
CID 12511862
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-(3-amino-4-methylpentyl)-N-methyl-3,4-dihydro-1H-isochromene-1-carboxamide;hydrochloride?
The IUPAC name of N-(3-amino-4-methylpentyl)-N-methyl-3,4-dihydro-1H-isochromene-1-carboxamide;hydrochloride (CID 119995087) is N-(3-amino-4-methylpentyl)-N-methyl-3,4-dihydro-1H-isochromene-1-carboxamide;hydrochloride.
What is the SMILES notation for N-(3-amino-4-methylpentyl)-N-methyl-3,4-dihydro-1H-isochromene-1-carboxamide;hydrochloride?
The canonical SMILES for N-(3-amino-4-methylpentyl)-N-methyl-3,4-dihydro-1H-isochromene-1-carboxamide;hydrochloride is CC(C)C(N)CCN(C)C(=O)C1OCCc2ccccc21.Cl.
What is the InChIKey of N-(3-amino-4-methylpentyl)-N-methyl-3,4-dihydro-1H-isochromene-1-carboxamide;hydrochloride?
The InChIKey is QFOREJAROVLVES-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O2.ClH/c1-12(2)15(18)8-10-19(3)17(20)16-14-7-5-4-6-13(14)9-11-21-16;/h4-7,12,15-16H,8-11,18H2,1-3H3;1H.
What are the key properties of N-(3-amino-4-methylpentyl)-N-methyl-3,4-dihydro-1H-isochromene-1-carboxamide;hydrochloride?
N-(3-amino-4-methylpentyl)-N-methyl-3,4-dihydro-1H-isochromene-1-carboxamide;hydrochloride has a molecular weight of 326.87 g/mol, XLogP of 2.55, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-4-methylpentyl)-N-methyl-3,4-dihydro-1H-isochromene-1-carboxamide;hydrochloride is sourced from PubChem (CID 119995087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).