N-cyclopropyl-2-(1,3-dioxoisoindol-2-yl)-N-[(4-methoxyphenyl)methyl]propanamide

C22H22N2O4 — CID 51206691

IUPACN-cyclopropyl-2-(1,3-dioxoisoindol-2-yl)-N-[(4-methoxyphenyl)methyl]propanamide
SMILESCOc1ccc(CN(C(=O)C(C)N2C(=O)c3ccccc3C2=O)C2CC2)cc1
InChIInChI=1S/C22H22N2O4/c1-14(24-21(26)18-5-3-4-6-19(18)22(24)27)20(25)23(16-9-10-16)13-15-7-11-17(28-2)12-8-15/h3-8,11-12,14,16H,9-10,13H2,1-2H3
InChIKeyLAOJPPRZJXTVAR-UHFFFAOYSA-N
MW378.43 g/mol
LogP2.87
Rot. Bonds6

About N-cyclopropyl-2-(1,3-dioxoisoindol-2-yl)-N-[(4-methoxyphenyl)methyl]propanamide

N-cyclopropyl-2-(1,3-dioxoisoindol-2-yl)-N-[(4-methoxyphenyl)methyl]propanamide (PubChem CID 51206691) has the molecular formula C22H22N2O4 and a molecular weight of 378.43 g/mol. Its IUPAC name is N-cyclopropyl-2-(1,3-dioxoisoindol-2-yl)-N-[(4-methoxyphenyl)methyl]propanamide.

Molecular Properties

Compound NameN-cyclopropyl-2-(1,3-dioxoisoindol-2-yl)-N-[(4-methoxyphenyl)methyl]propanamide
PubChem CID51206691
Molecular FormulaC22H22N2O4
Molecular Weight378.43 g/mol
Exact Mass378.16
IUPAC NameN-cyclopropyl-2-(1,3-dioxoisoindol-2-yl)-N-[(4-methoxyphenyl)methyl]propanamide
SMILESCOc1ccc(CN(C(=O)C(C)N2C(=O)c3ccccc3C2=O)C2CC2)cc1
InChIInChI=1S/C22H22N2O4/c1-14(24-21(26)18-5-3-4-6-19(18)22(24)27)20(25)23(16-9-10-16)13-15-7-11-17(28-2)12-8-15/h3-8,11-12,14,16H,9-10,13H2,1-2H3
InChIKeyLAOJPPRZJXTVAR-UHFFFAOYSA-N
XLogP2.87
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.43
LogP ≤ 52.87
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

N-cyclopropyl-5-[(1,3-dioxoisoindol-2-yl)methyl]-2-methoxy-N-[(4-methoxyphenyl)methyl]benzamide
CID 55388015
2-[1-[4-[2-(4-methoxyphenyl)ethyl]piperidin-1-yl]-1-oxopropan-2-yl]isoindole-1,3-dione
CID 55464987
2-[4-[cyclopropyl-[(4-methoxyphenyl)methyl]amino]butyl]isoindole-1,3-dione
CID 18088542
N-(1-cyclopropylethyl)-2-(1,3-dioxoisoindol-2-yl)-N-[(4-methoxyphenyl)methyl]acetamide
CID 42945913
N-[(4-methoxyphenyl)methyl]-2-(2-methylbenzimidazol-1-yl)-N-(1-methylpiperidin-4-yl)propanamide
CID 46970183
N-cyclopropyl-N-[(4-methoxyphenyl)methyl]-2-(2-oxo-1-pyridinyl)acetamide
CID 51206707
(2S)-2-(1,3-dioxoisoindol-2-yl)-N-methoxy-N-methylpropanamide
CID 15518686
3-amino-N-cyclopropyl-N-[(4-methoxyphenyl)methyl]propanamide
CID 39350832
N-cyclopropyl-N-[(4-methoxyphenyl)methyl]-2-(methylamino)acetamide
CID 60686602
2-[1-[4-[2-(4-methoxyphenyl)acetyl]-1,4-diazepan-1-yl]-1-oxopropan-2-yl]isoindole-1,3-dione
CID 108544576
2-(1,3-dioxoisoindol-2-yl)-N-(4-methoxyphenyl)propanamide
CID 3803407
3-amino-N-cyclopropyl-N-[(4-methoxyphenyl)methyl]-2,2-dimethylpropanamide
CID 115426364

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2-(1,3-dioxoisoindol-2-yl)-N-[(4-methoxyphenyl)methyl]propanamide?
The IUPAC name of N-cyclopropyl-2-(1,3-dioxoisoindol-2-yl)-N-[(4-methoxyphenyl)methyl]propanamide (CID 51206691) is N-cyclopropyl-2-(1,3-dioxoisoindol-2-yl)-N-[(4-methoxyphenyl)methyl]propanamide.
What is the SMILES notation for N-cyclopropyl-2-(1,3-dioxoisoindol-2-yl)-N-[(4-methoxyphenyl)methyl]propanamide?
The canonical SMILES for N-cyclopropyl-2-(1,3-dioxoisoindol-2-yl)-N-[(4-methoxyphenyl)methyl]propanamide is COc1ccc(CN(C(=O)C(C)N2C(=O)c3ccccc3C2=O)C2CC2)cc1.
What is the InChIKey of N-cyclopropyl-2-(1,3-dioxoisoindol-2-yl)-N-[(4-methoxyphenyl)methyl]propanamide?
The InChIKey is LAOJPPRZJXTVAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N2O4/c1-14(24-21(26)18-5-3-4-6-19(18)22(24)27)20(25)23(16-9-10-16)13-15-7-11-17(28-2)12-8-15/h3-8,11-12,14,16H,9-10,13H2,1-2H3.
What are the key properties of N-cyclopropyl-2-(1,3-dioxoisoindol-2-yl)-N-[(4-methoxyphenyl)methyl]propanamide?
N-cyclopropyl-2-(1,3-dioxoisoindol-2-yl)-N-[(4-methoxyphenyl)methyl]propanamide has a molecular weight of 378.43 g/mol, XLogP of 2.87, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2-(1,3-dioxoisoindol-2-yl)-N-[(4-methoxyphenyl)methyl]propanamide is sourced from PubChem (CID 51206691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).