N-(cyclopropylmethyl)-2-(5-methoxy-3-oxo-1,2-dihydroisoindol-1-yl)acetamide

C15H18N2O3 — CID 44753603

IUPACN-(cyclopropylmethyl)-2-(5-methoxy-3-oxo-1,2-dihydroisoindol-1-yl)acetamide
SMILESCOc1ccc2c(c1)C(=O)NC2CC(=O)NCC1CC1
InChIInChI=1S/C15H18N2O3/c1-20-10-4-5-11-12(6-10)15(19)17-13(11)7-14(18)16-8-9-2-3-9/h4-6,9,13H,2-3,7-8H2,1H3,(H,16,18)(H,17,19)
InChIKeyLNPMGLJOXDAYFU-UHFFFAOYSA-N
MW274.32 g/mol
LogP1.40
Rot. Bonds5

About N-(cyclopropylmethyl)-2-(5-methoxy-3-oxo-1,2-dihydroisoindol-1-yl)acetamide

N-(cyclopropylmethyl)-2-(5-methoxy-3-oxo-1,2-dihydroisoindol-1-yl)acetamide (PubChem CID 44753603) has the molecular formula C15H18N2O3 and a molecular weight of 274.32 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-2-(5-methoxy-3-oxo-1,2-dihydroisoindol-1-yl)acetamide.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-2-(5-methoxy-3-oxo-1,2-dihydroisoindol-1-yl)acetamide
PubChem CID44753603
Molecular FormulaC15H18N2O3
Molecular Weight274.32 g/mol
Exact Mass274.13
IUPAC NameN-(cyclopropylmethyl)-2-(5-methoxy-3-oxo-1,2-dihydroisoindol-1-yl)acetamide
SMILESCOc1ccc2c(c1)C(=O)NC2CC(=O)NCC1CC1
InChIInChI=1S/C15H18N2O3/c1-20-10-4-5-11-12(6-10)15(19)17-13(11)7-14(18)16-8-9-2-3-9/h4-6,9,13H,2-3,7-8H2,1H3,(H,16,18)(H,17,19)
InChIKeyLNPMGLJOXDAYFU-UHFFFAOYSA-N
XLogP1.40
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 51.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-cyclohexyl-2-[(1S)-5-methoxy-3-oxo-1,2-dihydroisoindol-1-yl]acetamide
CID 1432987
(3S)-6-methoxy-3-phenacyl-2,3-dihydroisoindol-1-one
CID 164681160
N-[(2,6-dimethoxyphenyl)methyl]-2-[(1S)-3-oxo-1,2-dihydroisoindol-1-yl]acetamide
CID 95126376
2-(2-amino-5-methoxyphenoxy)-N-(cyclopropylmethyl)acetamide
CID 102702513
N-(cyclopropylmethyl)-2-[[(1R)-1-(3-methoxyphenyl)ethyl]amino]acetamide
CID 81373337
2-[2-(aminomethyl)-5-methoxyphenoxy]-N-(cyclopropylmethyl)acetamide
CID 61267401
N-[(4-bromocyclohexyl)methyl]-3-(4-methoxyphenyl)propanamide
CID 106134334
2-(cyclopropylmethylamino)-N-[(3-methoxyphenyl)methyl]acetamide;hydrochloride
CID 119678219
N-benzyl-2-[(1S)-3-oxo-1,2-dihydroisoindol-1-yl]acetamide
CID 7678919
N-[5-[2-(4-methoxyphenyl)ethyl]-1H-1,2,4-triazol-3-yl]-2-(3-oxo-1,2-dihydroisoindol-1-yl)acetamide
CID 71705159
(3R)-3-[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]-2,3-dihydroisoindol-1-one
CID 7677868
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[[1-(3-methoxyphenyl)pyrrolidin-3-yl]methyl]acetamide
CID 119871027

Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-2-(5-methoxy-3-oxo-1,2-dihydroisoindol-1-yl)acetamide?
The IUPAC name of N-(cyclopropylmethyl)-2-(5-methoxy-3-oxo-1,2-dihydroisoindol-1-yl)acetamide (CID 44753603) is N-(cyclopropylmethyl)-2-(5-methoxy-3-oxo-1,2-dihydroisoindol-1-yl)acetamide.
What is the SMILES notation for N-(cyclopropylmethyl)-2-(5-methoxy-3-oxo-1,2-dihydroisoindol-1-yl)acetamide?
The canonical SMILES for N-(cyclopropylmethyl)-2-(5-methoxy-3-oxo-1,2-dihydroisoindol-1-yl)acetamide is COc1ccc2c(c1)C(=O)NC2CC(=O)NCC1CC1.
What is the InChIKey of N-(cyclopropylmethyl)-2-(5-methoxy-3-oxo-1,2-dihydroisoindol-1-yl)acetamide?
The InChIKey is LNPMGLJOXDAYFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O3/c1-20-10-4-5-11-12(6-10)15(19)17-13(11)7-14(18)16-8-9-2-3-9/h4-6,9,13H,2-3,7-8H2,1H3,(H,16,18)(H,17,19).
What are the key properties of N-(cyclopropylmethyl)-2-(5-methoxy-3-oxo-1,2-dihydroisoindol-1-yl)acetamide?
N-(cyclopropylmethyl)-2-(5-methoxy-3-oxo-1,2-dihydroisoindol-1-yl)acetamide has a molecular weight of 274.32 g/mol, XLogP of 1.40, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-2-(5-methoxy-3-oxo-1,2-dihydroisoindol-1-yl)acetamide is sourced from PubChem (CID 44753603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).