N-[[2-[(dimethylamino)methyl]phenyl]methyl]-2-(1-methylidene-3-oxoisoindol-2-yl)acetamide

C21H23N3O2 — CID 18137394

IUPACN-[[2-[(dimethylamino)methyl]phenyl]methyl]-2-(1-methylidene-3-oxoisoindol-2-yl)acetamide
SMILESC=C1c2ccccc2C(=O)N1CC(=O)NCc1ccccc1CN(C)C
InChIInChI=1S/C21H23N3O2/c1-15-18-10-6-7-11-19(18)21(26)24(15)14-20(25)22-12-16-8-4-5-9-17(16)13-23(2)3/h4-11H,1,12-14H2,2-3H3,(H,22,25)
InChIKeyLAASHHHVTUNTMT-UHFFFAOYSA-N
MW349.43 g/mol
LogP2.49
Rot. Bonds6

About N-[[2-[(dimethylamino)methyl]phenyl]methyl]-2-(1-methylidene-3-oxoisoindol-2-yl)acetamide

N-[[2-[(dimethylamino)methyl]phenyl]methyl]-2-(1-methylidene-3-oxoisoindol-2-yl)acetamide (PubChem CID 18137394) has the molecular formula C21H23N3O2 and a molecular weight of 349.43 g/mol. Its IUPAC name is N-[[2-[(dimethylamino)methyl]phenyl]methyl]-2-(1-methylidene-3-oxoisoindol-2-yl)acetamide.

Molecular Properties

Compound NameN-[[2-[(dimethylamino)methyl]phenyl]methyl]-2-(1-methylidene-3-oxoisoindol-2-yl)acetamide
PubChem CID18137394
Molecular FormulaC21H23N3O2
Molecular Weight349.43 g/mol
Exact Mass349.18
IUPAC NameN-[[2-[(dimethylamino)methyl]phenyl]methyl]-2-(1-methylidene-3-oxoisoindol-2-yl)acetamide
SMILESC=C1c2ccccc2C(=O)N1CC(=O)NCc1ccccc1CN(C)C
InChIInChI=1S/C21H23N3O2/c1-15-18-10-6-7-11-19(18)21(26)24(15)14-20(25)22-12-16-8-4-5-9-17(16)13-23(2)3/h4-11H,1,12-14H2,2-3H3,(H,22,25)
InChIKeyLAASHHHVTUNTMT-UHFFFAOYSA-N
XLogP2.49
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.43
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(1-methylidene-3-oxoisoindol-2-yl)-N-[(2-pyrrolidin-1-ylphenyl)methyl]acetamide
CID 55980936
N-[(4-acetamidophenyl)methyl]-2-(1-methylidene-3-oxoisoindol-2-yl)acetamide
CID 18154251
2-(1,3-dioxoisoindol-2-yl)-N-[[2-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]acetamide
CID 8968889
2-(1-methylidene-3-oxoisoindol-2-yl)-N-[(2S)-2-[(2S)-2-methylpiperidin-1-yl]propyl]acetamide
CID 92863110
2-amino-N-[[2-[(dimethylamino)methyl]phenyl]methyl]acetamide;dihydrochloride
CID 119835483
3-amino-N-[[2-[(dimethylamino)methyl]phenyl]methyl]propanamide
CID 61258455
2-(1-methylidene-3-oxoisoindol-2-yl)-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]acetamide
CID 17466380
N-cyclopentyl-2-(1-methylidene-3-oxoisoindol-2-yl)acetamide
CID 18136582
N-[[3-(difluoromethoxy)phenyl]methyl]-2-(1-methylidene-3-oxoisoindol-2-yl)acetamide
CID 49336908
N-[(2,5-dimethylphenyl)methyl]-2-(1,3-dioxoisoindol-2-yl)acetamide
CID 110779654
N-[(1-hydroxycycloheptyl)methyl]-2-(1-methylidene-3-oxoisoindol-2-yl)acetamide
CID 111433260
N-[[2-[(dimethylamino)methyl]phenyl]methyl]-2-(4-oxo-1,2,3-benzotriazin-3-yl)acetamide
CID 17441684

Frequently Asked Questions

What is the IUPAC name of N-[[2-[(dimethylamino)methyl]phenyl]methyl]-2-(1-methylidene-3-oxoisoindol-2-yl)acetamide?
The IUPAC name of N-[[2-[(dimethylamino)methyl]phenyl]methyl]-2-(1-methylidene-3-oxoisoindol-2-yl)acetamide (CID 18137394) is N-[[2-[(dimethylamino)methyl]phenyl]methyl]-2-(1-methylidene-3-oxoisoindol-2-yl)acetamide.
What is the SMILES notation for N-[[2-[(dimethylamino)methyl]phenyl]methyl]-2-(1-methylidene-3-oxoisoindol-2-yl)acetamide?
The canonical SMILES for N-[[2-[(dimethylamino)methyl]phenyl]methyl]-2-(1-methylidene-3-oxoisoindol-2-yl)acetamide is C=C1c2ccccc2C(=O)N1CC(=O)NCc1ccccc1CN(C)C.
What is the InChIKey of N-[[2-[(dimethylamino)methyl]phenyl]methyl]-2-(1-methylidene-3-oxoisoindol-2-yl)acetamide?
The InChIKey is LAASHHHVTUNTMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O2/c1-15-18-10-6-7-11-19(18)21(26)24(15)14-20(25)22-12-16-8-4-5-9-17(16)13-23(2)3/h4-11H,1,12-14H2,2-3H3,(H,22,25).
What are the key properties of N-[[2-[(dimethylamino)methyl]phenyl]methyl]-2-(1-methylidene-3-oxoisoindol-2-yl)acetamide?
N-[[2-[(dimethylamino)methyl]phenyl]methyl]-2-(1-methylidene-3-oxoisoindol-2-yl)acetamide has a molecular weight of 349.43 g/mol, XLogP of 2.49, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-[(dimethylamino)methyl]phenyl]methyl]-2-(1-methylidene-3-oxoisoindol-2-yl)acetamide is sourced from PubChem (CID 18137394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).