N-benzyl-3-(1,3-dioxoisoindol-2-yl)-N-(4-methoxyphenyl)propanamide

C25H22N2O4 — CID 55385096

IUPACN-benzyl-3-(1,3-dioxoisoindol-2-yl)-N-(4-methoxyphenyl)propanamide
SMILESCOc1ccc(N(Cc2ccccc2)C(=O)CCN2C(=O)c3ccccc3C2=O)cc1
InChIInChI=1S/C25H22N2O4/c1-31-20-13-11-19(12-14-20)27(17-18-7-3-2-4-8-18)23(28)15-16-26-24(29)21-9-5-6-10-22(21)25(26)30/h2-14H,15-17H2,1H3
InChIKeyHPWKGYJUVPRTII-UHFFFAOYSA-N
MW414.46 g/mol
LogP3.91
Rot. Bonds7

About N-benzyl-3-(1,3-dioxoisoindol-2-yl)-N-(4-methoxyphenyl)propanamide

N-benzyl-3-(1,3-dioxoisoindol-2-yl)-N-(4-methoxyphenyl)propanamide (PubChem CID 55385096) has the molecular formula C25H22N2O4 and a molecular weight of 414.46 g/mol. Its IUPAC name is N-benzyl-3-(1,3-dioxoisoindol-2-yl)-N-(4-methoxyphenyl)propanamide.

Molecular Properties

Compound NameN-benzyl-3-(1,3-dioxoisoindol-2-yl)-N-(4-methoxyphenyl)propanamide
PubChem CID55385096
Molecular FormulaC25H22N2O4
Molecular Weight414.46 g/mol
Exact Mass414.16
IUPAC NameN-benzyl-3-(1,3-dioxoisoindol-2-yl)-N-(4-methoxyphenyl)propanamide
SMILESCOc1ccc(N(Cc2ccccc2)C(=O)CCN2C(=O)c3ccccc3C2=O)cc1
InChIInChI=1S/C25H22N2O4/c1-31-20-13-11-19(12-14-20)27(17-18-7-3-2-4-8-18)23(28)15-16-26-24(29)21-9-5-6-10-22(21)25(26)30/h2-14H,15-17H2,1H3
InChIKeyHPWKGYJUVPRTII-UHFFFAOYSA-N
XLogP3.91
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.46
LogP ≤ 53.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

3-(1,3-dioxoisoindol-2-yl)-N-[(4-methoxyphenyl)methyl]-N-methylpropanamide
CID 51155126
3-(1,3-dioxoisoindol-2-yl)-N-(4-methylphenyl)-N-(pyridin-3-ylmethyl)propanamide
CID 110360430
N-benzyl-N-(4-methoxyphenyl)hexanamide
CID 60594646
2-amino-N-benzyl-N-(4-methoxyphenyl)acetamide;hydrochloride
CID 119032182
1-N,3-N-dibenzyl-1-N,3-N-bis(4-methoxyphenyl)benzene-1,3-dicarboxamide
CID 10144171
N-benzyl-N-tert-butyl-3-(1,3-dioxoisoindol-2-yl)propanamide
CID 51370669
N-tert-butyl-4-(1,3-dioxoisoindol-2-yl)-N-[(4-methoxyphenyl)methyl]butanamide
CID 3891356
N-[4-(1,3-dioxoisoindol-2-yl)butyl]-4-methoxy-N-(4-methylphenyl)benzamide
CID 4013315
N-benzyl-4-[3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]-N-phenylbutanamide
CID 16885143
3-(1,3-dioxoisoindol-2-yl)-N-(3-methoxyphenyl)-N-methylpropanamide
CID 100772639
[2-(N-benzylanilino)-2-oxoethyl] 2-(1,3-dioxoisoindol-2-yl)acetate
CID 55467802
4-(1,3-dioxoisoindol-2-yl)-N-[(4-methoxyphenyl)methyl]-N-[(2S)-1-oxo-1-(propan-2-ylamino)propan-2-yl]butanamide
CID 100719607

Frequently Asked Questions

What is the IUPAC name of N-benzyl-3-(1,3-dioxoisoindol-2-yl)-N-(4-methoxyphenyl)propanamide?
The IUPAC name of N-benzyl-3-(1,3-dioxoisoindol-2-yl)-N-(4-methoxyphenyl)propanamide (CID 55385096) is N-benzyl-3-(1,3-dioxoisoindol-2-yl)-N-(4-methoxyphenyl)propanamide.
What is the SMILES notation for N-benzyl-3-(1,3-dioxoisoindol-2-yl)-N-(4-methoxyphenyl)propanamide?
The canonical SMILES for N-benzyl-3-(1,3-dioxoisoindol-2-yl)-N-(4-methoxyphenyl)propanamide is COc1ccc(N(Cc2ccccc2)C(=O)CCN2C(=O)c3ccccc3C2=O)cc1.
What is the InChIKey of N-benzyl-3-(1,3-dioxoisoindol-2-yl)-N-(4-methoxyphenyl)propanamide?
The InChIKey is HPWKGYJUVPRTII-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22N2O4/c1-31-20-13-11-19(12-14-20)27(17-18-7-3-2-4-8-18)23(28)15-16-26-24(29)21-9-5-6-10-22(21)25(26)30/h2-14H,15-17H2,1H3.
What are the key properties of N-benzyl-3-(1,3-dioxoisoindol-2-yl)-N-(4-methoxyphenyl)propanamide?
N-benzyl-3-(1,3-dioxoisoindol-2-yl)-N-(4-methoxyphenyl)propanamide has a molecular weight of 414.46 g/mol, XLogP of 3.91, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-3-(1,3-dioxoisoindol-2-yl)-N-(4-methoxyphenyl)propanamide is sourced from PubChem (CID 55385096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).