N-[2-(3-amino-3-oxopropyl)-7-chloro-3-oxo-1H-isoindol-4-yl]cyclopropanecarboxamide;2-ethoxy-1-methoxy-4-methylbenzene

C25H30ClN3O5 — CID 142941395

IUPACN-[2-(3-amino-3-oxopropyl)-7-chloro-3-oxo-1H-isoindol-4-yl]cyclopropanecarboxamide;2-ethoxy-1-methoxy-4-methylbenzene
SMILESCCOc1cc(C)ccc1OC.NC(=O)CCN1Cc2c(Cl)ccc(NC(=O)C3CC3)c2C1=O
InChIInChI=1S/C15H16ClN3O3.C10H14O2/c16-10-3-4-11(18-14(21)8-1-2-8)13-9(10)7-19(15(13)22)6-5-12(17)20;1-4-12-10-7-8(2)5-6-9(10)11-3/h3-4,8H,1-2,5-7H2,(H2,17,20)(H,18,21);5-7H,4H2,1-3H3
InChIKeyQTZQBEVQRRJAQF-UHFFFAOYSA-N
MW487.98 g/mol
LogP3.92
Rot. Bonds8

About N-[2-(3-amino-3-oxopropyl)-7-chloro-3-oxo-1H-isoindol-4-yl]cyclopropanecarboxamide;2-ethoxy-1-methoxy-4-methylbenzene

N-[2-(3-amino-3-oxopropyl)-7-chloro-3-oxo-1H-isoindol-4-yl]cyclopropanecarboxamide;2-ethoxy-1-methoxy-4-methylbenzene (PubChem CID 142941395) has the molecular formula C25H30ClN3O5 and a molecular weight of 487.98 g/mol. Its IUPAC name is N-[2-(3-amino-3-oxopropyl)-7-chloro-3-oxo-1H-isoindol-4-yl]cyclopropanecarboxamide;2-ethoxy-1-methoxy-4-methylbenzene.

Molecular Properties

Compound NameN-[2-(3-amino-3-oxopropyl)-7-chloro-3-oxo-1H-isoindol-4-yl]cyclopropanecarboxamide;2-ethoxy-1-methoxy-4-methylbenzene
PubChem CID142941395
Molecular FormulaC25H30ClN3O5
Molecular Weight487.98 g/mol
Exact Mass487.19
IUPAC NameN-[2-(3-amino-3-oxopropyl)-7-chloro-3-oxo-1H-isoindol-4-yl]cyclopropanecarboxamide;2-ethoxy-1-methoxy-4-methylbenzene
SMILESCCOc1cc(C)ccc1OC.NC(=O)CCN1Cc2c(Cl)ccc(NC(=O)C3CC3)c2C1=O
InChIInChI=1S/C15H16ClN3O3.C10H14O2/c16-10-3-4-11(18-14(21)8-1-2-8)13-9(10)7-19(15(13)22)6-5-12(17)20;1-4-12-10-7-8(2)5-6-9(10)11-3/h3-4,8H,1-2,5-7H2,(H2,17,20)(H,18,21);5-7H,4H2,1-3H3
InChIKeyQTZQBEVQRRJAQF-UHFFFAOYSA-N
XLogP3.92
TPSA110.96 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500487.98
LogP ≤ 53.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[2-(3-amino-3-oxopropyl)-7-chloro-3-oxo-1H-isoindol-4-yl]cyclopropanecarboxamide;2-ethoxy-1-methoxy-4-methylbenzene 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

[2-(2-chloro-4-methylanilino)-2-oxoethyl] 3-ethoxy-4-methoxybenzoate
CID 7903768
1-[(4-chlorophenyl)methyl]-N-(2-methoxy-5-methylphenyl)piperidine-4-carboxamide
CID 45015995
3-[4-(cyclopropanecarbonylamino)-3-oxo-1H-isoindol-2-yl]-3-(3-ethoxy-4-methoxyphenyl)propanoic acid
CID 22177176
(3S)-N-(2-chloro-4-methylphenyl)-1-(2-ethoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 8885855
1-(4-ethoxyphenyl)sulfonyl-N-(2-methoxy-5-methylphenyl)piperidine-4-carboxamide
CID 31287920
N-(2-chloro-5-methylphenyl)cyclopropanecarboxamide
CID 70795609
N-[2-[(1R)-1-(3-ethoxy-4-methoxyphenyl)-4-[(2-methylpropan-2-yl)oxyamino]-4-oxobutyl]-3-oxo-1H-isoindol-4-yl]cyclopropanecarboxamide
CID 173102543
N-(4-chloro-2,5-dimethoxyphenyl)-1-[(3-methylphenyl)methyl]piperidine-4-carboxamide
CID 45012607
(3S)-1-(2-ethoxyphenyl)-N-(2-methoxy-5-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 2684734
N-[7-chloro-2-[(1R)-1-(3-ethoxy-4-methoxyphenyl)-2-methylsulfonylethyl]-3-oxo-1H-isoindol-4-yl]-2-(dimethylamino)acetamide;hydrochloride
CID 161402242
4-N-(2-ethoxyphenyl)-1-N-(2-methoxyphenyl)cyclohexane-1,4-dicarboxamide
CID 109151014
N-(2-methoxy-4-methylphenyl)piperidine-4-carboxamide;hydrochloride
CID 119298753

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-amino-3-oxopropyl)-7-chloro-3-oxo-1H-isoindol-4-yl]cyclopropanecarboxamide;2-ethoxy-1-methoxy-4-methylbenzene?
The IUPAC name of N-[2-(3-amino-3-oxopropyl)-7-chloro-3-oxo-1H-isoindol-4-yl]cyclopropanecarboxamide;2-ethoxy-1-methoxy-4-methylbenzene (CID 142941395) is N-[2-(3-amino-3-oxopropyl)-7-chloro-3-oxo-1H-isoindol-4-yl]cyclopropanecarboxamide;2-ethoxy-1-methoxy-4-methylbenzene.
What is the SMILES notation for N-[2-(3-amino-3-oxopropyl)-7-chloro-3-oxo-1H-isoindol-4-yl]cyclopropanecarboxamide;2-ethoxy-1-methoxy-4-methylbenzene?
The canonical SMILES for N-[2-(3-amino-3-oxopropyl)-7-chloro-3-oxo-1H-isoindol-4-yl]cyclopropanecarboxamide;2-ethoxy-1-methoxy-4-methylbenzene is CCOc1cc(C)ccc1OC.NC(=O)CCN1Cc2c(Cl)ccc(NC(=O)C3CC3)c2C1=O.
What is the InChIKey of N-[2-(3-amino-3-oxopropyl)-7-chloro-3-oxo-1H-isoindol-4-yl]cyclopropanecarboxamide;2-ethoxy-1-methoxy-4-methylbenzene?
The InChIKey is QTZQBEVQRRJAQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClN3O3.C10H14O2/c16-10-3-4-11(18-14(21)8-1-2-8)13-9(10)7-19(15(13)22)6-5-12(17)20;1-4-12-10-7-8(2)5-6-9(10)11-3/h3-4,8H,1-2,5-7H2,(H2,17,20)(H,18,21);5-7H,4H2,1-3H3.
What are the key properties of N-[2-(3-amino-3-oxopropyl)-7-chloro-3-oxo-1H-isoindol-4-yl]cyclopropanecarboxamide;2-ethoxy-1-methoxy-4-methylbenzene?
N-[2-(3-amino-3-oxopropyl)-7-chloro-3-oxo-1H-isoindol-4-yl]cyclopropanecarboxamide;2-ethoxy-1-methoxy-4-methylbenzene has a molecular weight of 487.98 g/mol, XLogP of 3.92, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-amino-3-oxopropyl)-7-chloro-3-oxo-1H-isoindol-4-yl]cyclopropanecarboxamide;2-ethoxy-1-methoxy-4-methylbenzene is sourced from PubChem (CID 142941395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).