1-(1,3-dihydroisoindol-2-yl)-2-[(2-methyl-3-phenylprop-2-enyl)amino]ethanone

C20H22N2O — CID 127265895

IUPAC1-(1,3-dihydroisoindol-2-yl)-2-[(2-methyl-3-phenylprop-2-enyl)amino]ethanone
SMILESCC(=Cc1ccccc1)CNCC(=O)N1Cc2ccccc2C1
InChIInChI=1S/C20H22N2O/c1-16(11-17-7-3-2-4-8-17)12-21-13-20(23)22-14-18-9-5-6-10-19(18)15-22/h2-11,21H,12-15H2,1H3
InChIKeyDIHGDICXANCUIZ-UHFFFAOYSA-N
MW306.41 g/mol
LogP3.22
Rot. Bonds5

About 1-(1,3-dihydroisoindol-2-yl)-2-[(2-methyl-3-phenylprop-2-enyl)amino]ethanone

1-(1,3-dihydroisoindol-2-yl)-2-[(2-methyl-3-phenylprop-2-enyl)amino]ethanone (PubChem CID 127265895) has the molecular formula C20H22N2O and a molecular weight of 306.41 g/mol. Its IUPAC name is 1-(1,3-dihydroisoindol-2-yl)-2-[(2-methyl-3-phenylprop-2-enyl)amino]ethanone.

Molecular Properties

Compound Name1-(1,3-dihydroisoindol-2-yl)-2-[(2-methyl-3-phenylprop-2-enyl)amino]ethanone
PubChem CID127265895
Molecular FormulaC20H22N2O
Molecular Weight306.41 g/mol
Exact Mass306.17
IUPAC Name1-(1,3-dihydroisoindol-2-yl)-2-[(2-methyl-3-phenylprop-2-enyl)amino]ethanone
SMILESCC(=Cc1ccccc1)CNCC(=O)N1Cc2ccccc2C1
InChIInChI=1S/C20H22N2O/c1-16(11-17-7-3-2-4-8-17)12-21-13-20(23)22-14-18-9-5-6-10-19(18)15-22/h2-11,21H,12-15H2,1H3
InChIKeyDIHGDICXANCUIZ-UHFFFAOYSA-N
XLogP3.22
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.41
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(1,3-dihydroisoindol-2-yl)-2-(ethylamino)ethanone
CID 62230150
2-[[(E)-2-methyl-3-phenylprop-2-enyl]amino]acetamide
CID 69252913
3-[[(Z)-2-methyl-3-phenylprop-2-enyl]amino]propanamide
CID 115875443
3-methyl-N-[(E)-2-methyl-3-phenylprop-2-enyl]butan-1-amine;hydrochloride
CID 115605434
3-[(2-methyl-3-phenylprop-2-enyl)amino]propan-1-ol
CID 68679938
1-[[(Z)-2-methyl-3-phenylprop-2-enyl]amino]-3-phenylpropan-2-ol
CID 119123695
2-methyl-3-phenyl-N-(2-piperidin-1-ylethyl)prop-2-en-1-amine
CID 68682291
S-[2-(1,3-dihydroisoindol-2-yl)-2-oxoethyl] ethanethioate
CID 166512227
2-amino-N-[2-(1,3-dihydroisoindol-2-yl)-2-oxoethyl]acetamide
CID 55049954
2-chloro-N-[2-(1,3-dihydroisoindol-2-yl)-2-oxoethyl]acetamide
CID 166408853
2-methyl-3-phenyl-N-(3-pyrrolidin-1-ylpropyl)prop-2-en-1-amine
CID 68681903
3-[[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]amino]propanoic acid
CID 43466454

Frequently Asked Questions

What is the IUPAC name of 1-(1,3-dihydroisoindol-2-yl)-2-[(2-methyl-3-phenylprop-2-enyl)amino]ethanone?
The IUPAC name of 1-(1,3-dihydroisoindol-2-yl)-2-[(2-methyl-3-phenylprop-2-enyl)amino]ethanone (CID 127265895) is 1-(1,3-dihydroisoindol-2-yl)-2-[(2-methyl-3-phenylprop-2-enyl)amino]ethanone.
What is the SMILES notation for 1-(1,3-dihydroisoindol-2-yl)-2-[(2-methyl-3-phenylprop-2-enyl)amino]ethanone?
The canonical SMILES for 1-(1,3-dihydroisoindol-2-yl)-2-[(2-methyl-3-phenylprop-2-enyl)amino]ethanone is CC(=Cc1ccccc1)CNCC(=O)N1Cc2ccccc2C1.
What is the InChIKey of 1-(1,3-dihydroisoindol-2-yl)-2-[(2-methyl-3-phenylprop-2-enyl)amino]ethanone?
The InChIKey is DIHGDICXANCUIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O/c1-16(11-17-7-3-2-4-8-17)12-21-13-20(23)22-14-18-9-5-6-10-19(18)15-22/h2-11,21H,12-15H2,1H3.
What are the key properties of 1-(1,3-dihydroisoindol-2-yl)-2-[(2-methyl-3-phenylprop-2-enyl)amino]ethanone?
1-(1,3-dihydroisoindol-2-yl)-2-[(2-methyl-3-phenylprop-2-enyl)amino]ethanone has a molecular weight of 306.41 g/mol, XLogP of 3.22, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3-dihydroisoindol-2-yl)-2-[(2-methyl-3-phenylprop-2-enyl)amino]ethanone is sourced from PubChem (CID 127265895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).