N-(1-cyclopropylethyl)-4-[(1,3-dioxoisoindol-2-yl)methyl]-N-methylbenzamide

C22H22N2O3 — CID 134050942

IUPACN-(1-cyclopropylethyl)-4-[(1,3-dioxoisoindol-2-yl)methyl]-N-methylbenzamide
SMILESCC(C1CC1)N(C)C(=O)c1ccc(CN2C(=O)c3ccccc3C2=O)cc1
InChIInChI=1S/C22H22N2O3/c1-14(16-11-12-16)23(2)20(25)17-9-7-15(8-10-17)13-24-21(26)18-5-3-4-6-19(18)22(24)27/h3-10,14,16H,11-13H2,1-2H3
InChIKeyCTYALUPDKLUXOD-UHFFFAOYSA-N
MW362.43 g/mol
LogP3.35
Rot. Bonds5

About N-(1-cyclopropylethyl)-4-[(1,3-dioxoisoindol-2-yl)methyl]-N-methylbenzamide

N-(1-cyclopropylethyl)-4-[(1,3-dioxoisoindol-2-yl)methyl]-N-methylbenzamide (PubChem CID 134050942) has the molecular formula C22H22N2O3 and a molecular weight of 362.43 g/mol. Its IUPAC name is N-(1-cyclopropylethyl)-4-[(1,3-dioxoisoindol-2-yl)methyl]-N-methylbenzamide.

Molecular Properties

Compound NameN-(1-cyclopropylethyl)-4-[(1,3-dioxoisoindol-2-yl)methyl]-N-methylbenzamide
PubChem CID134050942
Molecular FormulaC22H22N2O3
Molecular Weight362.43 g/mol
Exact Mass362.16
IUPAC NameN-(1-cyclopropylethyl)-4-[(1,3-dioxoisoindol-2-yl)methyl]-N-methylbenzamide
SMILESCC(C1CC1)N(C)C(=O)c1ccc(CN2C(=O)c3ccccc3C2=O)cc1
InChIInChI=1S/C22H22N2O3/c1-14(16-11-12-16)23(2)20(25)17-9-7-15(8-10-17)13-24-21(26)18-5-3-4-6-19(18)22(24)27/h3-10,14,16H,11-13H2,1-2H3
InChIKeyCTYALUPDKLUXOD-UHFFFAOYSA-N
XLogP3.35
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.43
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[(1R)-1-cyclopropylethyl]-2-(1,3-dioxoisoindol-2-yl)-N-methylacetamide
CID 51547425
4-[(1,3-dioxoisoindol-2-yl)methyl]-N-(2-methylpropyl)benzamide
CID 32677765
N-[(1S)-1-cyclopropylethyl]-4-(difluoromethylsulfonylmethyl)-N-methylbenzamide
CID 96801144
N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-4-[(1,3-dioxoisoindol-2-yl)methyl]-N-methylbenzamide
CID 46563445
2-cyclopentyl-2-[4-[(1,3-dioxoisoindol-2-yl)methyl]phenyl]acetic acid
CID 58136304
methyl 3-[[4-[(1,3-dioxoisoindol-2-yl)methyl]benzoyl]-(2-methylpropyl)amino]propanoate
CID 55891926
N-(1-cyclopropylethyl)-2-(1,3-dioxoisoindol-2-yl)-N-[(4-methoxyphenyl)methyl]acetamide
CID 42945913
[2-[methyl-(4-methylcyclohexyl)amino]-2-oxoethyl] 4-[(1,3-dioxoisoindol-2-yl)methyl]benzoate
CID 46543568
[1-(cyclohexylamino)-1-oxopropan-2-yl] 4-[(1,3-dioxoisoindol-2-yl)methyl]benzoate
CID 55545613
4-[(1,3-dioxoisoindol-2-yl)methyl]-N-phenylbenzamide
CID 2995396
methyl 4-[4-[(1,3-dioxoisoindol-2-yl)methyl]benzoyl]benzoate
CID 102121064
N-cyclopentyl-5-[(1,3-dioxoisoindol-2-yl)methyl]-2-methoxy-N-methylbenzamide
CID 51268360

Frequently Asked Questions

What is the IUPAC name of N-(1-cyclopropylethyl)-4-[(1,3-dioxoisoindol-2-yl)methyl]-N-methylbenzamide?
The IUPAC name of N-(1-cyclopropylethyl)-4-[(1,3-dioxoisoindol-2-yl)methyl]-N-methylbenzamide (CID 134050942) is N-(1-cyclopropylethyl)-4-[(1,3-dioxoisoindol-2-yl)methyl]-N-methylbenzamide.
What is the SMILES notation for N-(1-cyclopropylethyl)-4-[(1,3-dioxoisoindol-2-yl)methyl]-N-methylbenzamide?
The canonical SMILES for N-(1-cyclopropylethyl)-4-[(1,3-dioxoisoindol-2-yl)methyl]-N-methylbenzamide is CC(C1CC1)N(C)C(=O)c1ccc(CN2C(=O)c3ccccc3C2=O)cc1.
What is the InChIKey of N-(1-cyclopropylethyl)-4-[(1,3-dioxoisoindol-2-yl)methyl]-N-methylbenzamide?
The InChIKey is CTYALUPDKLUXOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N2O3/c1-14(16-11-12-16)23(2)20(25)17-9-7-15(8-10-17)13-24-21(26)18-5-3-4-6-19(18)22(24)27/h3-10,14,16H,11-13H2,1-2H3.
What are the key properties of N-(1-cyclopropylethyl)-4-[(1,3-dioxoisoindol-2-yl)methyl]-N-methylbenzamide?
N-(1-cyclopropylethyl)-4-[(1,3-dioxoisoindol-2-yl)methyl]-N-methylbenzamide has a molecular weight of 362.43 g/mol, XLogP of 3.35, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyclopropylethyl)-4-[(1,3-dioxoisoindol-2-yl)methyl]-N-methylbenzamide is sourced from PubChem (CID 134050942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).