N-(3,4-dihydro-1H-isochromen-3-ylmethyl)-N,2-dimethylpropanamide

C15H21NO2 — CID 90635601

IUPACN-(3,4-dihydro-1H-isochromen-3-ylmethyl)-N,2-dimethylpropanamide
SMILESCC(C)C(=O)N(C)CC1Cc2ccccc2CO1
InChIInChI=1S/C15H21NO2/c1-11(2)15(17)16(3)9-14-8-12-6-4-5-7-13(12)10-18-14/h4-7,11,14H,8-10H2,1-3H3
InChIKeyNAGQWIIXCOWAPN-UHFFFAOYSA-N
MW247.34 g/mol
LogP2.24
Rot. Bonds3

About N-(3,4-dihydro-1H-isochromen-3-ylmethyl)-N,2-dimethylpropanamide

N-(3,4-dihydro-1H-isochromen-3-ylmethyl)-N,2-dimethylpropanamide (PubChem CID 90635601) has the molecular formula C15H21NO2 and a molecular weight of 247.34 g/mol. Its IUPAC name is N-(3,4-dihydro-1H-isochromen-3-ylmethyl)-N,2-dimethylpropanamide.

Molecular Properties

Compound NameN-(3,4-dihydro-1H-isochromen-3-ylmethyl)-N,2-dimethylpropanamide
PubChem CID90635601
Molecular FormulaC15H21NO2
Molecular Weight247.34 g/mol
Exact Mass247.16
IUPAC NameN-(3,4-dihydro-1H-isochromen-3-ylmethyl)-N,2-dimethylpropanamide
SMILESCC(C)C(=O)N(C)CC1Cc2ccccc2CO1
InChIInChI=1S/C15H21NO2/c1-11(2)15(17)16(3)9-14-8-12-6-4-5-7-13(12)10-18-14/h4-7,11,14H,8-10H2,1-3H3
InChIKeyNAGQWIIXCOWAPN-UHFFFAOYSA-N
XLogP2.24
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 52.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3,4-dihydro-1H-isochromen-3-ylmethyl)-N-methyl-2,2-diphenylacetamide
CID 90635704
2-chloro-N-(3,4-dihydro-1H-isochromen-3-ylmethyl)-N-methylbenzamide
CID 90635647
1-(3,4-dihydro-1H-isochromen-3-ylmethyl)-1-methyl-3-propylurea
CID 90635908
N-(3,4-dihydro-1H-isochromen-3-ylmethyl)-N-methyloxolane-3-carboxamide
CID 90635825
3-cyclohexyl-1-(3,4-dihydro-1H-isochromen-3-ylmethyl)-1-methylurea
CID 90635862
N-(3,4-dihydro-1H-isochromen-3-ylmethyl)-2-(4-ethoxyphenyl)-N-methylacetamide
CID 90635698
N-(3,4-dihydro-1H-isochromen-3-ylmethyl)-N-methyl-4-(trifluoromethyl)benzamide
CID 90635671
N-(3,4-dihydro-1H-isochromen-3-ylmethyl)-N-methyl-6-oxo-1H-pyridine-3-carboxamide
CID 91626554
1-(3,4-dihydro-1H-isochromen-3-ylmethyl)-1-methyl-3-naphthalen-1-ylurea
CID 90635907
N-(3,4-dihydro-1H-isochromen-3-ylmethyl)-4-(4-hydroxyphenyl)-N-methylbutanamide
CID 166365166
N-(3,4-dihydro-1H-isochromen-3-ylmethyl)-N-methyl-6-oxo-1H-pyridazine-3-carboxamide
CID 91626560
N-(3,4-dihydro-1H-isochromen-3-ylmethyl)-N-methyl-2-(2-oxo-1,3-oxazolidin-3-yl)acetamide
CID 90635834

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dihydro-1H-isochromen-3-ylmethyl)-N,2-dimethylpropanamide?
The IUPAC name of N-(3,4-dihydro-1H-isochromen-3-ylmethyl)-N,2-dimethylpropanamide (CID 90635601) is N-(3,4-dihydro-1H-isochromen-3-ylmethyl)-N,2-dimethylpropanamide.
What is the SMILES notation for N-(3,4-dihydro-1H-isochromen-3-ylmethyl)-N,2-dimethylpropanamide?
The canonical SMILES for N-(3,4-dihydro-1H-isochromen-3-ylmethyl)-N,2-dimethylpropanamide is CC(C)C(=O)N(C)CC1Cc2ccccc2CO1.
What is the InChIKey of N-(3,4-dihydro-1H-isochromen-3-ylmethyl)-N,2-dimethylpropanamide?
The InChIKey is NAGQWIIXCOWAPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO2/c1-11(2)15(17)16(3)9-14-8-12-6-4-5-7-13(12)10-18-14/h4-7,11,14H,8-10H2,1-3H3.
What are the key properties of N-(3,4-dihydro-1H-isochromen-3-ylmethyl)-N,2-dimethylpropanamide?
N-(3,4-dihydro-1H-isochromen-3-ylmethyl)-N,2-dimethylpropanamide has a molecular weight of 247.34 g/mol, XLogP of 2.24, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dihydro-1H-isochromen-3-ylmethyl)-N,2-dimethylpropanamide is sourced from PubChem (CID 90635601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).