N-[1-(dimethylamino)-4-methylpentan-2-yl]-2,3-dihydro-1H-isoindole-5-carboxamide

C17H27N3O — CID 103998097

IUPACN-[1-(dimethylamino)-4-methylpentan-2-yl]-2,3-dihydro-1H-isoindole-5-carboxamide
SMILESCC(C)CC(CN(C)C)NC(=O)c1ccc2c(c1)CNC2
InChIInChI=1S/C17H27N3O/c1-12(2)7-16(11-20(3)4)19-17(21)13-5-6-14-9-18-10-15(14)8-13/h5-6,8,12,16,18H,7,9-11H2,1-4H3,(H,19,21)
InChIKeyRTLVUVPFHZEHKF-UHFFFAOYSA-N
MW289.42 g/mol
LogP2.00
Rot. Bonds6

About N-[1-(dimethylamino)-4-methylpentan-2-yl]-2,3-dihydro-1H-isoindole-5-carboxamide

N-[1-(dimethylamino)-4-methylpentan-2-yl]-2,3-dihydro-1H-isoindole-5-carboxamide (PubChem CID 103998097) has the molecular formula C17H27N3O and a molecular weight of 289.42 g/mol. Its IUPAC name is N-[1-(dimethylamino)-4-methylpentan-2-yl]-2,3-dihydro-1H-isoindole-5-carboxamide.

Molecular Properties

Compound NameN-[1-(dimethylamino)-4-methylpentan-2-yl]-2,3-dihydro-1H-isoindole-5-carboxamide
PubChem CID103998097
Molecular FormulaC17H27N3O
Molecular Weight289.42 g/mol
Exact Mass289.22
IUPAC NameN-[1-(dimethylamino)-4-methylpentan-2-yl]-2,3-dihydro-1H-isoindole-5-carboxamide
SMILESCC(C)CC(CN(C)C)NC(=O)c1ccc2c(c1)CNC2
InChIInChI=1S/C17H27N3O/c1-12(2)7-16(11-20(3)4)19-17(21)13-5-6-14-9-18-10-15(14)8-13/h5-6,8,12,16,18H,7,9-11H2,1-4H3,(H,19,21)
InChIKeyRTLVUVPFHZEHKF-UHFFFAOYSA-N
XLogP2.00
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.42
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1,3-dihydroxypropan-2-yl)-2,3-dihydro-1H-isoindole-5-carboxamide
CID 103999059
3-bromo-N-[1-(dimethylamino)-4-methylpentan-2-yl]-4-methylbenzamide
CID 81472392
N-(2-methylpropyl)-2,3-dihydro-1H-isoindole-5-carboxamide
CID 82171853
3,5-dibromo-N-[1-(dimethylamino)-4-methylpentan-2-yl]benzamide
CID 107980196
N-[1-(dimethylamino)-4-methylpentan-2-yl]-4-(ethylamino)benzamide
CID 62181781
N-[1-(methylamino)-1-oxopropan-2-yl]-2,3-dihydro-1H-isoindole-5-carboxamide
CID 103998735
ethyl 2-(2,3-dihydro-1H-isoindole-5-carbonylamino)propanoate
CID 103998748
N-[1-(dimethylamino)-4-methylpentan-2-yl]-6-fluoropyridine-3-carboxamide
CID 63978149
3-(2-aminoethyl)-N-[1-(dimethylamino)-4-methylpentan-2-yl]benzamide
CID 62592624
methyl (2S)-2-(2,3-dihydro-1H-isoindole-5-carbonylamino)-3-methylbutanoate
CID 103998348
N-[2-(dimethylamino)-2-methylpropyl]-2,3-dihydro-1H-isoindole-5-carboxamide
CID 103998673
N-[2-(dimethylamino)-2-oxoethyl]-2,3-dihydro-1H-isoindole-5-carboxamide
CID 103997919

Frequently Asked Questions

What is the IUPAC name of N-[1-(dimethylamino)-4-methylpentan-2-yl]-2,3-dihydro-1H-isoindole-5-carboxamide?
The IUPAC name of N-[1-(dimethylamino)-4-methylpentan-2-yl]-2,3-dihydro-1H-isoindole-5-carboxamide (CID 103998097) is N-[1-(dimethylamino)-4-methylpentan-2-yl]-2,3-dihydro-1H-isoindole-5-carboxamide.
What is the SMILES notation for N-[1-(dimethylamino)-4-methylpentan-2-yl]-2,3-dihydro-1H-isoindole-5-carboxamide?
The canonical SMILES for N-[1-(dimethylamino)-4-methylpentan-2-yl]-2,3-dihydro-1H-isoindole-5-carboxamide is CC(C)CC(CN(C)C)NC(=O)c1ccc2c(c1)CNC2.
What is the InChIKey of N-[1-(dimethylamino)-4-methylpentan-2-yl]-2,3-dihydro-1H-isoindole-5-carboxamide?
The InChIKey is RTLVUVPFHZEHKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O/c1-12(2)7-16(11-20(3)4)19-17(21)13-5-6-14-9-18-10-15(14)8-13/h5-6,8,12,16,18H,7,9-11H2,1-4H3,(H,19,21).
What are the key properties of N-[1-(dimethylamino)-4-methylpentan-2-yl]-2,3-dihydro-1H-isoindole-5-carboxamide?
N-[1-(dimethylamino)-4-methylpentan-2-yl]-2,3-dihydro-1H-isoindole-5-carboxamide has a molecular weight of 289.42 g/mol, XLogP of 2.00, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(dimethylamino)-4-methylpentan-2-yl]-2,3-dihydro-1H-isoindole-5-carboxamide is sourced from PubChem (CID 103998097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).