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

C23H24N2O4 — CID 42945913

IUPACN-(1-cyclopropylethyl)-2-(1,3-dioxoisoindol-2-yl)-N-[(4-methoxyphenyl)methyl]acetamide
SMILESCOc1ccc(CN(C(=O)CN2C(=O)c3ccccc3C2=O)C(C)C2CC2)cc1
InChIInChI=1S/C23H24N2O4/c1-15(17-9-10-17)24(13-16-7-11-18(29-2)12-8-16)21(26)14-25-22(27)19-5-3-4-6-20(19)23(25)28/h3-8,11-12,15,17H,9-10,13-14H2,1-2H3
InChIKeyNSYBNAWTTKGNTI-UHFFFAOYSA-N
MW392.46 g/mol
LogP3.12
Rot. Bonds7

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

N-(1-cyclopropylethyl)-2-(1,3-dioxoisoindol-2-yl)-N-[(4-methoxyphenyl)methyl]acetamide (PubChem CID 42945913) has the molecular formula C23H24N2O4 and a molecular weight of 392.46 g/mol. Its IUPAC name is N-(1-cyclopropylethyl)-2-(1,3-dioxoisoindol-2-yl)-N-[(4-methoxyphenyl)methyl]acetamide.

Molecular Properties

Compound NameN-(1-cyclopropylethyl)-2-(1,3-dioxoisoindol-2-yl)-N-[(4-methoxyphenyl)methyl]acetamide
PubChem CID42945913
Molecular FormulaC23H24N2O4
Molecular Weight392.46 g/mol
Exact Mass392.17
IUPAC NameN-(1-cyclopropylethyl)-2-(1,3-dioxoisoindol-2-yl)-N-[(4-methoxyphenyl)methyl]acetamide
SMILESCOc1ccc(CN(C(=O)CN2C(=O)c3ccccc3C2=O)C(C)C2CC2)cc1
InChIInChI=1S/C23H24N2O4/c1-15(17-9-10-17)24(13-16-7-11-18(29-2)12-8-16)21(26)14-25-22(27)19-5-3-4-6-20(19)23(25)28/h3-8,11-12,15,17H,9-10,13-14H2,1-2H3
InChIKeyNSYBNAWTTKGNTI-UHFFFAOYSA-N
XLogP3.12
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.46
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-(1-cyclopropylethyl)-2-(1,3-dioxoisoindol-2-yl)-N-[(4-methoxyphenyl)methyl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(1-cyclopropylethyl)-N-[(4-methoxyphenyl)methyl]-2-(4-nitro-1,3-dioxoisoindol-2-yl)acetamide
CID 55551492
N-[(1R)-1-cyclopropylethyl]-2-(1,3-dioxoisoindol-2-yl)-N-methylacetamide
CID 51547425
N-(1-cyclopropylethyl)-N-[(4-methoxyphenyl)methyl]-2-phenylmethoxyacetamide
CID 55550866
N-(1-cyclopropylethyl)-N-[(4-methoxyphenyl)methyl]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide
CID 71684734
N-benzyl-N-butan-2-yl-2-(1,3-dioxoisoindol-2-yl)acetamide
CID 43025130
N-(1-cyclopropylethyl)-N-[(4-methoxyphenyl)methyl]-2-[4-(trifluoromethyl)phenyl]acetamide
CID 55552365
N-[3-[1-cyclopropylethyl-[(4-methoxyphenyl)methyl]amino]-3-oxopropyl]naphthalene-2-carboxamide
CID 55580575
(2R)-N-cyclohexyl-2-[(4-methoxyphenyl)methyl-[2-(2-oxobenzo[cd]indol-1-yl)acetyl]amino]butanamide
CID 100597621
N-benzyl-2-(1,3-dioxoisoindol-2-yl)-N-[2-[(4-methoxyphenyl)methyl]-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
CID 70031762
2-(1,3-dioxoisoindol-2-yl)-N-methoxy-N-[1-(4-methoxyphenyl)ethyl]acetamide
CID 101357423
N-cyclopropyl-2-(1,3-dioxoisoindol-2-yl)-N-[(4-methoxyphenyl)methyl]propanamide
CID 51206691
N-(1-cyclopropylethyl)-N-[(4-methoxyphenyl)methyl]-1-benzofuran-2-carboxamide
CID 42945917

Frequently Asked Questions

What is the IUPAC name of N-(1-cyclopropylethyl)-2-(1,3-dioxoisoindol-2-yl)-N-[(4-methoxyphenyl)methyl]acetamide?
The IUPAC name of N-(1-cyclopropylethyl)-2-(1,3-dioxoisoindol-2-yl)-N-[(4-methoxyphenyl)methyl]acetamide (CID 42945913) is N-(1-cyclopropylethyl)-2-(1,3-dioxoisoindol-2-yl)-N-[(4-methoxyphenyl)methyl]acetamide.
What is the SMILES notation for N-(1-cyclopropylethyl)-2-(1,3-dioxoisoindol-2-yl)-N-[(4-methoxyphenyl)methyl]acetamide?
The canonical SMILES for N-(1-cyclopropylethyl)-2-(1,3-dioxoisoindol-2-yl)-N-[(4-methoxyphenyl)methyl]acetamide is COc1ccc(CN(C(=O)CN2C(=O)c3ccccc3C2=O)C(C)C2CC2)cc1.
What is the InChIKey of N-(1-cyclopropylethyl)-2-(1,3-dioxoisoindol-2-yl)-N-[(4-methoxyphenyl)methyl]acetamide?
The InChIKey is NSYBNAWTTKGNTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N2O4/c1-15(17-9-10-17)24(13-16-7-11-18(29-2)12-8-16)21(26)14-25-22(27)19-5-3-4-6-20(19)23(25)28/h3-8,11-12,15,17H,9-10,13-14H2,1-2H3.
What are the key properties of N-(1-cyclopropylethyl)-2-(1,3-dioxoisoindol-2-yl)-N-[(4-methoxyphenyl)methyl]acetamide?
N-(1-cyclopropylethyl)-2-(1,3-dioxoisoindol-2-yl)-N-[(4-methoxyphenyl)methyl]acetamide has a molecular weight of 392.46 g/mol, XLogP of 3.12, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyclopropylethyl)-2-(1,3-dioxoisoindol-2-yl)-N-[(4-methoxyphenyl)methyl]acetamide is sourced from PubChem (CID 42945913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).