N-[1-(methylamino)-1-oxopropan-2-yl]-2,3-dihydro-1H-isoindole-5-carboxamide

C13H17N3O2 — CID 103998735

IUPACN-[1-(methylamino)-1-oxopropan-2-yl]-2,3-dihydro-1H-isoindole-5-carboxamide
SMILESCNC(=O)C(C)NC(=O)c1ccc2c(c1)CNC2
InChIInChI=1S/C13H17N3O2/c1-8(12(17)14-2)16-13(18)9-3-4-10-6-15-7-11(10)5-9/h3-5,8,15H,6-7H2,1-2H3,(H,14,17)(H,16,18)
InChIKeyJLHAKSGHBIZHAR-UHFFFAOYSA-N
MW247.30 g/mol
LogP0.15
Rot. Bonds3

About N-[1-(methylamino)-1-oxopropan-2-yl]-2,3-dihydro-1H-isoindole-5-carboxamide

N-[1-(methylamino)-1-oxopropan-2-yl]-2,3-dihydro-1H-isoindole-5-carboxamide (PubChem CID 103998735) has the molecular formula C13H17N3O2 and a molecular weight of 247.30 g/mol. Its IUPAC name is N-[1-(methylamino)-1-oxopropan-2-yl]-2,3-dihydro-1H-isoindole-5-carboxamide.

Molecular Properties

Compound NameN-[1-(methylamino)-1-oxopropan-2-yl]-2,3-dihydro-1H-isoindole-5-carboxamide
PubChem CID103998735
Molecular FormulaC13H17N3O2
Molecular Weight247.30 g/mol
Exact Mass247.13
IUPAC NameN-[1-(methylamino)-1-oxopropan-2-yl]-2,3-dihydro-1H-isoindole-5-carboxamide
SMILESCNC(=O)C(C)NC(=O)c1ccc2c(c1)CNC2
InChIInChI=1S/C13H17N3O2/c1-8(12(17)14-2)16-13(18)9-3-4-10-6-15-7-11(10)5-9/h3-5,8,15H,6-7H2,1-2H3,(H,14,17)(H,16,18)
InChIKeyJLHAKSGHBIZHAR-UHFFFAOYSA-N
XLogP0.15
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.30
LogP ≤ 50.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 2-(2,3-dihydro-1H-isoindole-5-carbonylamino)propanoate
CID 103998748
methyl (2S)-2-(2,3-dihydro-1H-isoindole-5-carbonylamino)-3-methylbutanoate
CID 103998348
N-(1,3-dihydroxypropan-2-yl)-2,3-dihydro-1H-isoindole-5-carboxamide
CID 103999059
N-[(1S)-1-(4-bromophenyl)ethyl]-2,3-dihydro-1H-isoindole-5-carboxamide
CID 103999224
N-(2-methylpropyl)-2,3-dihydro-1H-isoindole-5-carboxamide
CID 82171853
(2S)-2-(2,3-dihydro-1H-isoindole-5-carbonylamino)-3,3-dimethylbutanoic acid
CID 103870959
3-amino-4-chloro-N-[1-(methylamino)-1-oxopropan-2-yl]benzamide
CID 54950805
4-amino-3-fluoro-N-[1-(methylamino)-1-oxopropan-2-yl]benzamide
CID 62680619
N-[(1R)-1-(2-chlorophenyl)ethyl]-2,3-dihydro-1H-isoindole-5-carboxamide
CID 103999236
4-(2,3-dihydro-1H-isoindole-5-carbonylamino)benzoic acid
CID 115866991
N-[(1S)-1-pyridin-2-ylethyl]-2,3-dihydro-1H-isoindole-5-carboxamide
CID 103999250
N-[1-(dimethylamino)-4-methylpentan-2-yl]-2,3-dihydro-1H-isoindole-5-carboxamide
CID 103998097

Frequently Asked Questions

What is the IUPAC name of N-[1-(methylamino)-1-oxopropan-2-yl]-2,3-dihydro-1H-isoindole-5-carboxamide?
The IUPAC name of N-[1-(methylamino)-1-oxopropan-2-yl]-2,3-dihydro-1H-isoindole-5-carboxamide (CID 103998735) is N-[1-(methylamino)-1-oxopropan-2-yl]-2,3-dihydro-1H-isoindole-5-carboxamide.
What is the SMILES notation for N-[1-(methylamino)-1-oxopropan-2-yl]-2,3-dihydro-1H-isoindole-5-carboxamide?
The canonical SMILES for N-[1-(methylamino)-1-oxopropan-2-yl]-2,3-dihydro-1H-isoindole-5-carboxamide is CNC(=O)C(C)NC(=O)c1ccc2c(c1)CNC2.
What is the InChIKey of N-[1-(methylamino)-1-oxopropan-2-yl]-2,3-dihydro-1H-isoindole-5-carboxamide?
The InChIKey is JLHAKSGHBIZHAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O2/c1-8(12(17)14-2)16-13(18)9-3-4-10-6-15-7-11(10)5-9/h3-5,8,15H,6-7H2,1-2H3,(H,14,17)(H,16,18).
What are the key properties of N-[1-(methylamino)-1-oxopropan-2-yl]-2,3-dihydro-1H-isoindole-5-carboxamide?
N-[1-(methylamino)-1-oxopropan-2-yl]-2,3-dihydro-1H-isoindole-5-carboxamide has a molecular weight of 247.30 g/mol, XLogP of 0.15, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(methylamino)-1-oxopropan-2-yl]-2,3-dihydro-1H-isoindole-5-carboxamide is sourced from PubChem (CID 103998735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).